Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2477797

COC(=O)c1cccc(N)c1.Cl

nearest known ligand 0.59

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
GLA known ✓ P06280 1/20 0.53
GAA known ✓ P10253 1/20 0.53
ADRB2 known ✓ P07550 2/20 0.51
ADRB1 known ✓ P08588 2/20 0.51
ADRB3 known ✓ P13945 2/20 0.51
GRIN2D known ✓ O15399 1/20 0.51
GRIN3B known ✓ O60391 1/20 0.51
GRIN1 known ✓ Q05586 1/20 0.51
GRIN2A known ✓ Q12879 1/20 0.51
GRIN2B known ✓ Q13224 1/20 0.51
GRIN2C known ✓ Q14957 1/20 0.51
GRIN3A known ✓ Q8TCU5 1/20 0.51
CA2 known ✓ P00918 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.59
TSHR P16473 1/20 0.55
ALDH1A1 P00352 3/20 0.54
PBRM1 Q86U86 1/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL29836775 0.98 LOXL2 (0.61) LOXL2TSHRALDH1A1PBRM1KDM4E
SCHEMBL134170 0.98 LOXL2 (0.61) LOXL2TSHRALDH1A1PBRM1KDM4E
O-Xylene SCHEMBL27792225 0.90 LMNA (0.57) LOXL2TSHRALDH1A1PBRM1KDM4E
Hydrochloric Acid SCHEMBL6233341 0.90 CA12 (0.60) LOXL2TSHRALDH1A1MAPTRAB9A
Toluene SCHEMBL27792204 0.88 TSHR (0.56) LOXL2TSHRALDH1A1PBRM1KDM4E
SCHEMBL29441704 0.87 CA12 (0.61) LOXL2TSHRALDH1A1MAPTRAB9A
SCHEMBL2875365 0.87 CA12 (0.61) LOXL2TSHRALDH1A1MAPTRAB9A
SCHEMBL7531618 0.87 LOXL2 (0.50) LOXL2TSHRALDH1A1PBRM1KDM4E
SCHEMBL7908137 0.86 PBRM1 (0.66) LOXL2TSHRALDH1A1PBRM1KDM4E
SCHEMBL8367495 0.84 L3MBTL1 (0.56) LOXL2TSHRALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115057859-B Compound with antitumor and antifungal activity and application thereof 中国人民解放军海军军医大学 2023-07-21 CN disclosed
CN-115057859-A Compound with antitumor and antifungal activities and application thereof 中国人民解放军海军军医大学 2022-09-16 CN disclosed
CN-108101845-B Preparation method of eltrombopag 苏州科伦药物研究有限公司 2020-05-15 CN disclosed
US-9403823-B2 Protein kinase inhibitors ORIBASE PHARMA (FR) 2016-08-02 US disclosed
US-20160009709-A1 PROTEIN KINASE INHIBITORS ORIBASE PHARMA (FR) 2016-01-14 US disclosed
CN-105008354-A Protein kinase inhibitors ORIBASE PHARMA 2015-10-28 CN disclosed
CN-102584940-B Peptidic compounds UNIV WOLLONGONG 2014-12-31 CN disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
EP-1836159-B1 Antibiotic binaphthyl derivatives UNIV WOLLONGONG (AU) 2013-04-10 EP disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors BARKER MICHAEL D 2006-08-10 US disclosed
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 WO disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed
EP-0081838-B1 CYCLOHEXYL AND PHENYL SUBSTITUTED ENKEPHALINS G.D. Searle & Co. (US) 1988-04-27 EP disclosed
US-4407746-A Cyclohexyl and phenyl substituted enkephalins G. D. SEARLE & CO. (US) 1983-10-04 US disclosed
EP-0081838-A1 Cyclohexyl and phenyl substituted enkephalins G.D. Searle & Co. (US) 1983-06-22 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 (4 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-20160009709-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K2 GLA 3735/4885GAA 1820/4885ADRB2 3067/4885
US-20060178416-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GLA 826/4885GAA 477/4885ADRB2 85/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN GLA 2852/4885GAA 1534/4885ADRB2 4654/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A GLA 826/4885GAA 477/4885ADRB2 85/4885

“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.