Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5751690

CS(=O)(=O)Nc1cccc2c1CCNC2.Cl

nearest known ligand 0.51

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 18)

geneUniProtsupporting neighboursconfidence
NR3C1 known ✓ P04150 1/20 0.40
ADRA1A known ✓ P35348 1/20 0.40
MAOB known ✓ P27338 1/20 0.40
ADRA2A known ✓ P08913 1/20 0.39
SCN9A known ✓ Q15858 1/20 0.39
CD44 P16070 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PNMT P11086 2/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 1/20 0.40
NMT1 P30419 1/20 0.40
P2RX7 Q99572 1/20 0.39

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
SCHEMBL3700361 0.98 CD44 (0.49) CD44KDM4EHPGDHSD17B10KEAP1
Hydrochloric Acid SCHEMBL4511906 0.88 PNMT (0.47) KDM4EHPGDHSD17B10KEAP1NFE2L2
SCHEMBL13678711 0.87 PNMT (0.49) CD44KDM4EHPGDHSD17B10KEAP1
Hydrochloric Acid SCHEMBL6765523 0.86 KDM4E (0.45) KDM4EHPGDHSD17B10KEAP1NFE2L2
SCHEMBL20782838 0.84 CD44 (0.53) CD44KDM4EALDH1A1PNMTNMT1
Hydrochloric Acid SCHEMBL10356561 0.82 HTR6 (0.56) CD44KDM4EALDH1A1PNMT
Hydrochloric Acid SCHEMBL2867007 0.80 CD44 (0.54) CD44PNMTMAOBP2RX7
SCHEMBL2810333 0.78 CD44 (0.56) CD44PNMTMAOBP2RX7
Hydrochloric Acid SCHEMBL9959608 0.78 ALDH1A1 (0.44) CD44KDM4EALDH1A1PNMTNMT1
Hydrochloric Acid SCHEMBL9959613 0.77 HTR6 (0.47) ALDH1A1PNMTPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed
US-7026479-B2 Process for the production of quinazolines BOULTON LEE TERENCE 2006-04-11 US disclosed
EP-1387839-B1 PROCESS FOR THE PRODUCTION OF QUINAZOLINES PFIZER LTD (GB) 2006-03-08 EP disclosed
US-20040158062-A1 Process for the production of quinazolines PFIZER INC 2004-08-12 US disclosed
US-6734303-B2 THERAPY FOR BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2004-05-11 US disclosed
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC 2004-02-19 US disclosed
US-6683085-B2 4-AMINO-6,7-DIMETHOXY-2-(5-METHANESULFONAMIDO-1,2,3,4 -TETRAHYDROISOQUINOL-2-YL)-5-(2-PYRIDYL)QUINAZOLINE MESYLATE; FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2004-01-27 US disclosed
EP-0887344-B1 Quinolines and quinazolines useful in therapy PFIZER LTD (GB) 2003-12-03 EP disclosed
US-6653302-B2 Benign prostatic hyperplasia PFIZER INC. 2003-11-25 US disclosed
US-6649620-B2 Particularly in the treatment of benign prostatic hyperplasia. PFIZER INC. 2003-11-18 US disclosed
US-20020040028-A1 Quinoline and quinazoline compounds useful in therapy FOX DAVID NATHAN ABRAHAM (GB) 2002-04-04 US disclosed
US-6365599-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-04-02 US disclosed
US-20020010188-A1 4-amino-6,7-dimethoxy-2-(5-methanesulfonamido-1,2,3,4 -tetrahydroisoquinol-2-yl)-5-(2-pyridyl)quinazoline mesylate; for treatment of benign prostatic hyperplasia BASFORD PATRICIA ANN (GB) 2002-01-24 US disclosed
WO-2001064672-A1 4-AMINO-6,7-DIMETHOXY-2-(5-METHANESULFONAMIDO-1,2,3,4-TETRAHYDROISOQUINOL-2-YL)-5-(2-PYRIDYL)QUINAZOLINE MESYLAT AND POLYMORPHS PFIZER LIMITED (GB) 2001-09-07 WO disclosed
US-6169093-B1 FOR TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER INC. 2001-01-02 US disclosed
US-6048864-A Quinolines and quinazolines useful in therapy PFIZER INC (US) 2000-04-11 US disclosed
EP-0968208-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA Pfizer Limited (GB) 2000-01-05 EP disclosed
EP-0887344-A1 Quinolines and quinazolines useful in therapy Pfizer Limited (GB) 1998-12-30 EP disclosed
EP-0875506-A1 Quinoline and quinazoline compounds useful in therapy Pfizer Limited (GB) 1998-11-04 EP disclosed
WO-1998030560-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY, PARTICULARLY IN THE TREATMENT OF BEGNIN PROSTATIC HYPERPLASIA PFIZER LIMITED (GB) 1998-07-16 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 (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-20020040028-A1 Quinoline and quinazoline compounds useful in therapy BPHL, LPXN, NQO2 NR3C1 2133/4885ADRA1A 100/4885MAOB 262/4885
US-20040034032-A1 Quinoline and quinazoline compounds useful in therapy NQO2, LPXN, SDHA NR3C1 1484/4885ADRA1A 108/4885MAOB 160/4885
US-20040158062-A1 Process for the production of quinazolines BPHL, QDPR, NQO2 NR3C1 4820/4885ADRA1A 665/4885MAOB 289/4885
US-20020010188-A1 4-amino-6,7-dimethoxy-2-(5-methanesulfonamido-1,2,3,4 -tetrahydroisoquinol-2-yl)-5-(2-pyridyl)quinazoline mesylate; for treatment of benign prostatic hyperplasia BPHL, QDPR, DPYD NR3C1 3623/4885ADRA1A 301/4885MAOB 995/4885

“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.