Hydrochloric Acid

Hydrochloric Acid

SCHEMBL994332

Cl.O=C(NC1CCNCC1)c1ccccc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 known ✓ P56524 2/20 0.51
HDAC6 known ✓ Q9UBN7 2/20 0.51
HDAC3 known ✓ O15379 1/20 0.51
HDAC1 known ✓ Q13547 1/20 0.51
HDAC7 known ✓ Q8WUI4 1/20 0.51
HDAC2 known ✓ Q92769 1/20 0.51
HDAC10 known ✓ Q969S8 1/20 0.51
HDAC11 known ✓ Q96DB2 1/20 0.51
HDAC8 known ✓ Q9BY41 1/20 0.51
HDAC9 known ✓ Q9UKV0 1/20 0.51
HDAC5 known ✓ Q9UQL6 1/20 0.51
NPC1 O15118 4/20 0.60
RAB9A P51151 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KHK P50053 1/20 0.53
SMYD3 Q9H7B4 3/20 0.53
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL594567 0.98 NPC1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Water SCHEMBL22462471 0.97 NPC1 (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21493561 0.92 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21493560 0.92 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21493542 0.92 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL16600557 0.91 NPC1 (0.77) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL994487 0.90 MEN1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL28156652 0.90 MEN1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL28155972 0.90 MEN1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL5476430 0.89 NPC1 (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104507939-B tetrahydropyrazolopyrimidine compounds 卫材R&D管理有限公司 2017-07-25 CN claimed
CN-111936468-B Compounds with anticancer activity 协和麒麟株式会社 2024-03-08 CN disclosed
EP-4039333-A1 BET DEGRADER Kyowa Kirin Co., Ltd. (JP) 2022-08-10 EP disclosed
CN-114502534-A BET degradant 协和麒麟株式会社 2022-05-13 CN disclosed
EP-3190116-B1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO LTD (JP) 2020-08-05 EP disclosed
CN-109715167-A Lipid-substituted amino 1, 2-and 1, 3-diol compounds as modulators of TLR2 dimerization 神经孔疗法股份有限公司 2019-05-03 CN disclosed
US-9999622-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-06-19 US disclosed
US-9937176-B2 Pyrazolothiazole compound and medicine comprising same NIPPON SHINYAKU CO., LTD. (JP) 2018-04-10 US disclosed
US-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2018-04-05 US disclosed
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME NIPPON SHINYAKU CO., LTD. (JP) 2017-09-07 US disclosed
US-7112592-B2 topical bactericides and disinfectants for surgical instruments; staphylococci; coliform bacteria; 7-oxo-6-(sulphooxy)-1,6-diazabicyclo[3,2,1]octane-2-carboxamide; bridged bicyclic ureas or carbamates having bridgehead nitrogen AVENTIS PHARMA S.A. (FR) 2006-09-26 US disclosed
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-08-24 US disclosed
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents AVENTIS PHARMA S.A. 2006-03-02 US disclosed
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases AVENTIS PHARMA S.A. (FR) 2005-01-27 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
CN-1468242-A Azabicyclic compounds, method for the production thereof, and use thereof as medicaments, in particular as antibacterials ���ĵ�˹ҩƷ��˾ 2004-01-14 CN disclosed
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents ALLERGAN PHARMACEUTICALS INTERNATIONAL LIMITED (IE) 2003-10-23 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 HDAC4 1676/4885HDAC6 295/4885HDAC3 105/4885
US-20180092919-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 HDAC4 601/4885HDAC6 202/4885HDAC3 681/4885
US-20060046995-A1 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, SDHB, SDHA HDAC4 1329/4885HDAC6 157/4885HDAC3 1407/4885
US-20060189652-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-bacterial agents NISCH, DDC, SDHA HDAC4 987/4885HDAC6 71/4885HDAC3 1126/4885
US-20050020572-A1 Heterocyclic compounds as inhibitors of beta-lactamases BACE1, GAA, CEL HDAC4 1386/4885HDAC6 428/4885HDAC3 1419/4885
US-20170252341-A1 PYRAZOLOTHIAZOLE COMPOUND AND MEDICINE COMPRISING SAME JAK1, JAK2, JAK3 HDAC4 601/4885HDAC6 202/4885HDAC3 681/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 HDAC4 1406/4885HDAC6 314/4885HDAC3 126/4885
US-20030199541-A1 Azabicyclic compounds, preparation thereof and use as medicines, in particular as antibacterial agents AZI2, NISCH, DCTPP1 HDAC4 748/4885HDAC6 90/4885HDAC3 1749/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.