Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1060941

Cl.O=S(=O)(Nc1cc(O[C@H]2CCNC[C@H]2F)c2occc2c1)c1ccccc1C(F)(F)F

nearest known ligand 0.49

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 15)

geneUniProtsupporting neighboursconfidence
HTR6 known ✓ P50406 1/20 0.49
DDB1 known ✓ Q16531 1/20 0.36
CRBN known ✓ Q96SW2 1/20 0.36
SGK1 O00141 3/20 0.40
SLC22A12 Q96S37 12/20 0.39
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
PTPN5 P54829 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
GSPT1 P15170 1/20 0.36
AXL P30530 1/20 0.36

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 SCHEMBL1060940 1.00 HTR6 (0.49) HTR6SGK1SLC22A12PTPN2PTPN1
Hydrochloric Acid SCHEMBL1057359 1.00 HTR6 (0.49) HTR6SGK1SLC22A12PTPN2PTPN1
Hydrochloric Acid SCHEMBL1057363 1.00 HTR6 (0.49) HTR6SGK1SLC22A12PTPN2PTPN1
Hydrochloric Acid SCHEMBL1057360 1.00 HTR6 (0.49) HTR6SGK1SLC22A12PTPN2PTPN1
Hydrochloric Acid SCHEMBL1062181 0.88 HTR6 (0.50) HTR6SGK1PTPN2PTPN1PTPN5
Hydrochloric Acid SCHEMBL1062184 0.88 HTR6 (0.50) HTR6SGK1PTPN2PTPN1PTPN5
Hydrochloric Acid SCHEMBL1062185 0.88 HTR6 (0.50) HTR6SGK1PTPN2PTPN1PTPN5
SCHEMBL3958890 0.86 HTR6 (0.64) HTR6SLC22A12PTPN2PTPN1PTPN5
Hydrochloric Acid SCHEMBL1063912 0.82 HTR6 (0.49) HTR6SGK1
Hydrochloric Acid SCHEMBL1063907 0.82 HTR6 (0.49) HTR6SGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4739230-B2 2011-08-03 JP claimed
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US claimed
JP-2007514745-A 2007-06-07 JP claimed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 US claimed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP claimed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 WO claimed
US-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 US disclosed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 EP disclosed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 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 (2 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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885DDB1 4785/4885CRBN 3597/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A HTR6 1/4885DDB1 4198/4885CRBN 3509/4885

“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.