Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3615068

Cc1noc(C)c1S(=O)(=O)Nc1ccc(N2CCCNCC2)cc1NS(C)(=O)=O.Cl

nearest known ligand 0.45

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 16)

geneUniProtsupporting neighboursconfidence
HTR6 known ✓ P50406 3/20 0.41
EGFR known ✓ P00533 2/20 0.39
POLB P06746 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 4/20 0.42
PKM P14618 3/20 0.42
LMNA P02545 3/20 0.42
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
NMT1 P30419 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.38
ACLY P53396 1/20 0.38
NR3C2 P08235 1/20 0.38

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
SCHEMBL3612770 0.99 POLB (0.46) POLBALDH1A1HTTPKMLMNA
Hydrochloric Acid SCHEMBL3613245 0.90 POLB (0.47) POLBALDH1A1HTTPKMLMNA
SCHEMBL3622503 0.89 POLB (0.48) POLBALDH1A1HTTPKMLMNA
Hydrochloric Acid SCHEMBL3624526 0.86 HTR6 (0.50) POLBALDH1A1HTTPKMLMNA
SCHEMBL3618656 0.85 HTR6 (0.51) POLBALDH1A1HTTPKMLMNA
Hydrochloric Acid SCHEMBL6862743 0.82 HTR6 (0.47) POLBALDH1A1HTTPKMLMNA
Hydrochloric Acid SCHEMBL3623433 0.81 HTR6 (0.49) ALDH1A1HTR6NMT1KMT2AMEN1
SCHEMBL3616037 0.79 HTR6 (0.50) ALDH1A1HTR6NMT1KMT2AMEN1
Hydrochloric Acid SCHEMBL3623173 0.79 HTR6 (0.56) LMNAHTR6EGFR
Hydrochloric Acid SCHEMBL5067292 0.79 HTR6 (0.56) LMNAHTR6EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319097-B2 Treatment of type II diabetes with benzenesulfonamide substituted with an N-heterocycle: N-[2-amino-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide, N-[4-amino-5-(piperazinyl)phenyl]benzenesulfonamide, 3-amino-4-(5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-N-phenyl-benzenesulfonamide hydrochloride BIOVITRUM AB (SE) 2008-01-15 US claimed
US-20050288275-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2005-12-29 US claimed
US-6969710-B2 Compounds BIOVITRUM AB (SE) 2005-11-29 US claimed
EP-1406884-A1 ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2004-04-14 EP claimed
US-20030149019-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US claimed
US-20030149020-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US claimed
WO-2002092585-A1 NOVEL, ARYLSUSFONAMIDE COMPOUNDS FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS-DISORDERS BIOVITRUM AB (SE) 2002-11-21 WO claimed
US-7718650-B2 Aryl sulfonamide compounds for treating obesity BIOVITRUM AB (SE) 2010-05-18 US disclosed
US-7566715-B2 Substituted sulfonamide compounds useful for the prophylaxis and treatment of conditions relating to obesity, type II diabetes and/or disorders of the central nervous system BIOVITRUM AB (SE) 2009-07-28 US disclosed
US-20080096873-A1 NEW COMPOUNDS BIOVITRUM AB, A SWEDEN CORPORATION 2008-04-24 US disclosed
US-7319097-B2 Treatment of type II diabetes with benzenesulfonamide substituted with an N-heterocycle: N-[2-amino-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide, N-[4-amino-5-(piperazinyl)phenyl]benzenesulfonamide, 3-amino-4-(5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-N-phenyl-benzenesulfonamide hydrochloride BIOVITRUM AB (SE) 2008-01-15 US disclosed
US-7173035-B2 Arylsulfonamide compounds BIOVITRUM AB (SE) 2007-02-06 US disclosed
US-20060009446-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2006-01-12 US disclosed
US-20050288275-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2005-12-29 US disclosed
US-6969710-B2 Compounds BIOVITRUM AB (SE) 2005-11-29 US disclosed
US-20030149020-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US disclosed
US-20030149019-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 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 (5 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-20030149020-A1 New compounds GPR119, SULT2A1, NAT1 HTR6 436/4885EGFR 1743/4885POLB 3867/4885
US-20030149019-A1 New compounds GPR119, SULT2A1, NAT1 HTR6 436/4885EGFR 1743/4885POLB 3867/4885
US-20060009446-A1 New compounds GPR119, SULT2A1, STS HTR6 484/4885EGFR 1768/4885POLB 3841/4885
US-20080096873-A1 NEW COMPOUNDS GPR119, SULT2A1, STS HTR6 484/4885EGFR 1768/4885POLB 3841/4885
US-20050288275-A1 New compounds GPR119, SULT2A1, STS HTR6 484/4885EGFR 1768/4885POLB 3841/4885

“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.