Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2159177

COC(=O)c1ccccc1CN.Cl

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
CA2 known ✓ P00918 1/20 0.50
GLA known ✓ P06280 1/20 0.47
GAA known ✓ P10253 1/20 0.45
SLC6A3 known ✓ Q01959 1/20 0.45
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
HSD17B10 Q99714 2/20 0.56
CFTR P13569 1/20 0.56
TSHR P16473 1/20 0.53
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
CA1 P00915 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
ATM Q13315 1/20 0.50
KMT2A Q03164 1/20 0.50
HIF1A Q16665 1/20 0.50
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 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 SCHEMBL25289042 1.00 ALDH1A1 (0.60) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL1128064 0.98 ALDH1A1 (0.62) ALDH1A1LMNAHSD17B10CFTRTSHR
Hydrochloric Acid SCHEMBL4443950 0.86 ALDH1A1 (0.66) ALDH1A1LMNAHSD17B10CFTRTSHR
Hydrochloric Acid SCHEMBL323673 0.84 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL3959092 0.84 ALDH1A1 (0.51) ALDH1A1LMNAHSD17B10CFTRTSHR
Hydrochloric Acid SCHEMBL1962304 0.84 ALDH1A1 (0.47) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL4739142 0.84 ALDH1A1 (0.68) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL6718985 0.83 ALDH1A1 (0.62) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL10360804 0.82 ALDH1A1 (0.77) ALDH1A1LMNAHSD17B10CFTRTSHR
SCHEMBL70322 0.82 ALDH1A1 (0.66) ALDH1A1LMNAHSD17B10CFTRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110143925-A 6 isoform selective inhibitors of hydantoins hydroxamic acid histone deacetylases and preparation method and application 山东大学 2019-08-20 CN claimed
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240201205-A1 METHOD FOR DETECTING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
US-11845752-B2 Substituted imidazo[1,5-a]pyrazines for the treatment of hepatitis B ALIGOS THERAPEUTICS, INC. (US) 2023-12-19 US disclosed
WO-2023223055-A1 ANTI-VIRAL COMPOUNDS Infex Therapeutics Limited (GB) 2023-11-23 WO disclosed
EP-4229062-A1 BICYCLIC COMPOUNDS Aligos Therapeutics, Inc. (US) 2023-08-23 EP disclosed
CN-113754587-B Phenylpyrazole compound and application thereof 沈阳药科大学 2023-07-14 CN disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
EP-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
EP-1216994-B1 Tricyclic antidepressant derivatives and immunoassay ROCHE DIAGNOSTICS GMBH (DE) 2008-12-31 EP disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 WO disclosed
WO-2008097341-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-08-14 WO disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1216994-A2 Tricyclic antidepressant derivatives and immunoassay Roche Diagnostics GmbH (DE) 2002-06-26 EP disclosed
US-6368814-B1 TRICYCLIC ANTIDEPRESSANTS AND METABOLITES THEREOF ROCHE DIAGNOSTICS CORPORATION 2002-04-09 US 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 (6 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 CA2 1811/4885GLA 829/4885GAA 80/4885
US-11845752-B2 Substituted imidazo[1,5-a]pyrazines for the treatment of hepatitis B SLC10A1, HAVCR2, CYP3A5 CA2 4049/4885GLA 2621/4885GAA 1484/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 CA2 1085/4885GLA 4058/4885GAA 4034/4885
US-20070208056-A1 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 CA2 1930/4885GLA 4753/4885GAA 4142/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR CA2 2327/4885GLA 18/4885GAA 101/4885
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS PRNP, PSEN1, SNCA CA2 3433/4885GLA 2604/4885GAA 751/4885

“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.