Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3909223

Cl.O=S(=O)(c1ccccc1)c1cnc2c(NCCc3ccncc3)cccc2c1

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 20)

geneUniProtsupporting neighboursconfidence
HTR1A known ✓ P08908 1/20 0.43
DRD2 known ✓ P14416 1/20 0.43
HTR2A known ✓ P28223 1/20 0.43
HTR7 known ✓ P34969 1/20 0.43
HTR6 known ✓ P50406 1/20 0.43
HDAC6 known ✓ Q9UBN7 1/20 0.40
GLA known ✓ P06280 1/20 0.39
GAA known ✓ P10253 1/20 0.39
PDE4B known ✓ Q07343 2/20 0.39
AGTR1 known ✓ P30556 1/20 0.39
KCNH3 known ✓ Q9ULD8 1/20 0.39
PDE4A known ✓ P27815 1/20 0.39
PDE4C known ✓ Q08493 1/20 0.39
PDE4D known ✓ Q08499 1/20 0.39
CA2 known ✓ P00918 1/20 0.38
TDP1 Q9NUW8 2/20 0.45
F2 P00734 3/20 0.43
SLC40A1 Q9NP59 4/20 0.42
NAMPT P43490 1/20 0.41
GLO1 Q04760 3/20 0.40

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
SCHEMBL3922873 0.99 TDP1 (0.46) TDP1HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL3913472 0.88 SLC40A1 (0.44) TDP1HTR1ADRD2HTR2AHTR7
SCHEMBL3915801 0.87 SLC40A1 (0.45) TDP1HTR1ADRD2HTR2AHTR7
SCHEMBL3910380 0.80 NAMPT (0.52) SLC40A1NAMPTHDAC6SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL3911171 0.76 HTR2A (0.44) TDP1HTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL3912958 0.76 ALDH1A1 (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL23416155 0.75 SLC40A1 (0.55) TDP1HTR1ADRD2HTR2AHTR7
SCHEMBL3910472 0.75 HTR2A (0.44) TDP1HTR1ADRD2HTR2AHTR7
SCHEMBL3918840 0.74 ALDH1A1 (0.48) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL3908444 0.72 HTR6 (0.46) HTR1ADRD2HTR2AHTR7HTR6

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
EP-1928833-B1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LTD (GB) 2009-02-18 EP claimed
US-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor GLAXO GROUP LIMITED (GB) 2008-10-09 US claimed
EP-1928833-B1 NOVEL QUINOLINE COMPOUNDS CAPABLE OF BINDING AT THE CB2 RECEPTOR GLAXO GROUP LTD (GB) 2009-02-18 EP disclosed
US-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor GLAXO GROUP LIMITED (GB) 2008-10-09 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-20080249092-A1 Novel Quinoline Compounds Capable Of Binding At The Cb2 Receptor CNR2, CNR1, GPR52 HTR1A 74/4885DRD2 221/4885HTR2A 52/4885

“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.