Hydrochloric Acid

Hydrochloric Acid

SCHEMBL825845

Cl.NC(N)=Nc1nc(CC(=O)NCc2ccc(F)c(F)c2)cs1

nearest known ligand 0.47

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
GAA known ✓ P10253 1/20 0.47
CACNA1G known ✓ O43497 4/20 0.42
CACNA1H known ✓ O95180 4/20 0.42
CACNA1I known ✓ Q9P0X4 4/20 0.42
HDAC1 known ✓ Q13547 1/20 0.41
HDAC6 known ✓ Q9UBN7 1/20 0.41
MAOB known ✓ P27338 1/20 0.39
CHRM4 known ✓ P08173 1/20 0.38
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
P2RX7 Q99572 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK8 P45983 1/20 0.39
TPSAB1 Q15661 2/20 0.39
PRSS1 P07477 1/20 0.39
ATP4A P20648 1/20 0.39
ATP4B P51164 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 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
Hydrochloric Acid SCHEMBL827361 0.84 SMN1; SMN2 (0.48) ALDH1A1GAALMNAHPGDRAB9A
SCHEMBL823829 0.82 ALDH1A1 (0.55) ALDH1A1GAALMNAHPGDRAB9A
Hydrochloric Acid SCHEMBL827101 0.80 TSHR (0.53) ALDH1A1GAALMNAHPGDHDAC1
Hydrochloric Acid SCHEMBL825944 0.77 ATP4A (0.41) ATP4AATP4BCYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL825997 0.76 GAA (0.46) ALDH1A1GAAATP4AATP4BCYP1A2
Hydrochloric Acid SCHEMBL827080 0.76 F10 (0.46) ALDH1A1LMNAATP4AATP4BKMT2A
Hydrochloric Acid SCHEMBL827558 0.75 SMN1; SMN2 (0.46) ALDH1A1HPGDRAB9AMAOBCYP1A2
Hydrochloric Acid SCHEMBL826665 0.74 SMN1; SMN2 (0.53) ALDH1A1GAALMNAATP4AATP4B
Hydrochloric Acid SCHEMBL826480 0.73 SMN1; SMN2 (0.52) ALDH1A1GAALMNAMAOBCYP1A2
Hydrochloric Acid SCHEMBL826086 0.72 CTPS1 (0.52) ALDH1A1GAALMNAHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143296-B2 Thiazole-based compound and inhibitor of T-type calcium channel containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-03-27 US claimed
US-20100179201-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-15 US claimed
WO-2008018655-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-02-14 WO claimed
US-8143296-B2 Thiazole-based compound and inhibitor of T-type calcium channel containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-03-27 US disclosed
US-20100179201-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-07-15 US disclosed
WO-2008018655-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-02-14 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 (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-20100179201-A1 NOVEL THIAZOLE-BASED COMPOUND AND INHIBITOR OF T-TYPE CALCIUM CHANNEL CONTAINING THE SAME CACNA1G, CACNA1I, CACNA1H GAA 2546/4885CACNA1G 1/4885CACNA1H 3/4885

“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.