Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6150489

Cl.O=S(=O)(Nc1ccc2c(c1)CNCC2)c1ccc(Cl)cc1

nearest known ligand 0.83

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
HTR6 known ✓ P50406 5/20 0.65
HTR2C known ✓ P28335 4/20 0.65
DRD2 known ✓ P14416 4/20 0.65
DRD3 known ✓ P35462 4/20 0.65
HTR2A known ✓ P28223 3/20 0.65
HTR2B known ✓ P41595 1/20 0.52
CYP19A1 known ✓ P11511 1/20 0.51
ADRA2A known ✓ P08913 1/20 0.51
ADRA2B known ✓ P18089 1/20 0.51
ADRA2C known ✓ P18825 1/20 0.51
ESR1 known ✓ P03372 1/20 0.51
PNMT P11086 6/20 0.83
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SLC2A1 P11166 1/20 0.56
MLNR O43193 2/20 0.55
CES1 P23141 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
SCHEMBL6150374 0.99 PNMT (0.85) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL6365855 0.95 PNMT (0.80) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL10563624 0.91 PNMT (1.00) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL6364800 0.87 HTR2C (0.72) PNMTHTR6HTR2CDRD2DRD3
Hydrochloric Acid SCHEMBL9958844 0.87 PNMT (0.74) PNMTHTR6HTR2CDRD2DRD3
Hydrochloric Acid SCHEMBL10563577 0.87 HTR6 (0.82) PNMTHTR6HTR2CDRD2DRD3
Hydrochloric Acid SCHEMBL6370088 0.86 DRD2 (0.62) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL7452220 0.85 HTR6 (0.84) PNMTHTR6HTR2CDRD2DRD3
SCHEMBL13757776 0.85 PNMT (0.76) PNMTHTR6HTR2CDRD2DRD3
Hydrochloric Acid SCHEMBL9364891 0.84 PNMT (0.74) PNMTHTR6HTR2CDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085461-A1 Benzenesulfonamide derivatives GLAXO GROUP LIMITED (GB) 2005-04-21 US claimed
EP-1495004-A2 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 AND D2 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-12 EP claimed
WO-2003068732-A2 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 AND D2 RECEPTOR LIGA DS GLAXO GROUP LIMITED (GB) 2003-08-21 WO claimed
US-20050085461-A1 Benzenesulfonamide derivatives GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
US-20050085461-A1 Benzenesulfonamide derivatives GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-1495004-A2 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 AND D2 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-12 EP disclosed
EP-1495004-A2 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 AND D2 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-01-12 EP disclosed
WO-2003068732-A3 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 AND D2 RECEPTOR LIGA DS GLAXO GROUP LTD (GB) 2004-04-08 WO disclosed
WO-2003068732-A2 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 AND D2 RECEPTOR LIGA DS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068732-A2 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS DOPAMINE D3 AND D2 RECEPTOR LIGA DS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-0049135-B1 ANTIALLERGIC IMIDODISULFAMIDES SMITHKLINE BECKMAN CORPORATION (US) 1984-04-11 EP disclosed
US-4321254-A Antiallergic imidodisulfamides SMITHKLINE CORPORATION (US) 1982-03-23 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 (1 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-20050085461-A1 Benzenesulfonamide derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, SUCNR1 HTR6 1604/4885HTR2C 591/4885DRD2 2152/4885

“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.