Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19951372

Cc1ccccc1-c1nc(NS(=O)(=O)c2cccc(N3CCNC[C@@H]3C)n2)ccc1C(F)(F)F.Cl

nearest known ligand 0.40

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 17)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 13/20 0.40
HTR2A known ✓ P28223 6/20 0.38
KCNH2 known ✓ Q12809 1/20 0.38
HTR2B known ✓ P41595 8/20 0.36
SCN9A known ✓ Q15858 1/20 0.32
SCN1A known ✓ P35498 1/20 0.32
SCN8A known ✓ Q9UQD0 1/20 0.32
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CCNT1 O60563 1/20 0.32
CCNK O75909 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
SYK P43405 1/20 0.32

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 SCHEMBL19951428 1.00 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
Hydrochloric Acid SCHEMBL19951374 1.00 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
Hydrochloric Acid SCHEMBL29464901 1.00 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL19951343 0.99 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL29464512 0.99 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL19951341 0.99 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL19968833 0.99 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL29464303 0.99 HTR2C (0.40) HTR2CHTR2AKCNH2HTR2BPIM1
SCHEMBL29464957 0.89 HTR2C (0.34) HTR2CHTR2AKCNH2HTR2BCCNT1
SCHEMBL29464465 0.89 HTR2C (0.34) HTR2CHTR2AKCNH2HTR2BCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641873-B N- (pyridin-2-yl) pyridine-sulfonamide derivatives and their use for the treatment of disease 诺华股份有限公司 2022-03-18 CN disclosed
US-11066369-B2 N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2021-07-20 US disclosed
US-10450273-B2 N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2019-10-22 US disclosed
US-20180072673-A1 N-(pyridin-2-yl)pyridine-sulfonamide Derivatives and their Use in the Treatment of Disease NOVARTIS AG (CH) 2018-03-15 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 (3 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-11066369-B2 N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease CFTR, P2RY1, P2RX5 HTR2C 1815/4885HTR2A 1692/4885KCNH2 324/4885
US-20180072673-A1 N-(pyridin-2-yl)pyridine-sulfonamide Derivatives and their Use in the Treatment of Disease CFTR, P2RY1, P2RX5 HTR2C 1815/4885HTR2A 1692/4885KCNH2 324/4885
US-10450273-B2 N-(pyridin-2-yl)pyridine-sulfonamide derivatives and their use in the treatment of disease CFTR, P2RY1, P2RX5 HTR2C 1815/4885HTR2A 1692/4885KCNH2 324/4885

“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.