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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5354425

Cc1ccc(S(=O)(=O)N2CCN(CCC(=O)c3ccc(Br)s3)CC2)cc1.Cl

nearest known ligand 0.55

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
▸ GAA known ✓ P10253 1/20 0.55
▸ HDAC3 known ✓ O15379 1/20 0.45
▸ HDAC4 known ✓ P56524 1/20 0.45
▸ HDAC1 known ✓ Q13547 1/20 0.45
▸ HDAC7 known ✓ Q8WUI4 1/20 0.45
▸ HDAC2 known ✓ Q92769 1/20 0.45
▸ HDAC10 known ✓ Q969S8 1/20 0.45
▸ HDAC11 known ✓ Q96DB2 1/20 0.45
▸ HDAC8 known ✓ Q9BY41 1/20 0.45
▸ HDAC6 known ✓ Q9UBN7 1/20 0.45
▸ HDAC9 known ✓ Q9UKV0 1/20 0.45
▸ HDAC5 known ✓ Q9UQL6 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ THRB P10828 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46

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
Hydrochloric Acid SCHEMBL5364166 0.91 ALDH1A1 (0.53) L3MBTL1GAAKMT2AMEN1USP2
Hydrochloric Acid SCHEMBL5361206 0.89 ALDH1A1 (0.51) GAAKMT2AMEN1USP2MAPT
SCHEMBL6847854 0.78 MEN1 (0.51) L3MBTL1KMT2AMEN1USP2MAPT
Hydrochloric Acid SCHEMBL9051797 0.76 GAA (0.60) L3MBTL1GAAKMT2AMAPTTHRB
SCHEMBL13519369 0.76 GSK3B (0.50) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL3974104 0.75 L3MBTL1 (0.75) L3MBTL1GAAKMT2AMEN1ALDH1A1
SCHEMBL6847731 0.74 KMT2A (0.60) L3MBTL1KMT2AMEN1MAPTHSD17B10
Hydrochloric Acid SCHEMBL7242653 0.74 ALDH1A1 (0.60) L3MBTL1GAAKMT2AMAPTALDH1A1
SCHEMBL13519368 0.73 GSK3B (0.44) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL28790111 0.73 SMN1; SMN2 (0.58) L3MBTL1GAAKMT2AMEN1ALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173132-B2 Certain substituted 1-aryl-3-piperazine-1′-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2007-02-06 — — US claimed
US-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2003-12-25 — — US claimed
US-6306857-B1 INHIBITION OF ABNORMALLY PHOSPHORYLATED MOLECULAR GERIATRICS CORPORATION 2001-10-23 — — US claimed
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATARICS CORPORATION 2001-09-27 — — US claimed
WO-1996015792-A9 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES — 1996-09-12 — — WO claimed
US-7173132-B2 Certain substituted 1-aryl-3-piperazine-1′-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2007-02-06 — — US disclosed
US-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATRICS CORPORATION (US) 2003-12-25 — — US disclosed
US-6306857-B1 INHIBITION OF ABNORMALLY PHOSPHORYLATED MOLECULAR GERIATRICS CORPORATION 2001-10-23 — — US disclosed
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones MOLECULAR GERIATARICS CORPORATION 2001-09-27 — — US disclosed
US-6214994-B1 TREATMENT OF NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS, AND PREVENTING OR DECREASING PRODUCTION OF PHOSPHORYLATED PAIRED HELICAL FILAMENT (PHF) EPITOPES ASSOCIATED WITH ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION 2001-04-10 — — US disclosed
US-6075026-A Certain substituted 1-aryl-3-piperazin-1'-yl propanones MOLECULAR GERIATRICS, CORP. (US) 2000-06-13 — — US disclosed
US-5693804-A USEFUL IN TREATING NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS AND ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION (US) 1997-12-02 — — US disclosed
EP-0792269-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1997-09-03 — — EP disclosed
US-5658909-A INHIBITION OF ABNORMALLY PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPE FORMATION MOLECULAR GERIATRICS CORPORATION (US) 1997-08-19 — — US disclosed
WO-1996016052-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 — — WO 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 (2 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-20030236403-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP GAA 3790/4885HDAC3 1239/4885HDAC4 1792/4885
US-20010025105-A1 Certain substituted 1-aryl-3-piperazine-1'-yl propanones PSEN1, PSEN2, PRNP GAA 3790/4885HDAC3 1239/4885HDAC4 1792/4885

“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.