Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1942270

Cl.O=C(O)c1cnccc1Cl

nearest known ligand 0.56

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
ROCK2 known ✓ O75116 1/20 0.56
ROCK1 known ✓ Q13464 1/20 0.56
GAA known ✓ P10253 3/20 0.41
HSP90AA1 known ✓ P07900 1/20 0.40
KDM4C Q9H3R0 7/20 0.52
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM6B O15054 2/20 0.52
KDM4D Q6B0I6 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KDM4A O75164 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
KDM5A P29375 1/20 0.42

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 SCHEMBL17143441 1.00 ROCK2 (0.56) ROCK2ROCK1KDM4CALDH1A1TDP1
SCHEMBL7533 0.98 ROCK2 (0.58) ROCK2ROCK1KDM4CALDH1A1TDP1
SCHEMBL29574646 0.98 ROCK2 (0.58) ROCK2ROCK1KDM4CALDH1A1TDP1
SCHEMBL8686759 0.86 ROCK2 (0.47) ROCK2ROCK1KDM4CALDH1A1TDP1
Hydrochloric Acid SCHEMBL1027775 0.83 KDM4C (0.57) ROCK2ROCK1KDM4CALDH1A1TDP1
Hydrochloric Acid SCHEMBL2432397 0.83 ROCK2 (0.56) ROCK2ROCK1KDM4CALDH1A1TDP1
Hydrochloric Acid SCHEMBL17318497 0.82 ROCK2 (0.59) ROCK2ROCK1KDM4CALDH1A1TDP1
SCHEMBL116912 0.81 KDM4C (0.59) ROCK2ROCK1KDM4CALDH1A1TDP1
SCHEMBL587010 0.81 ROCK2 (0.58) ROCK2ROCK1KDM4CALDH1A1TDP1
SCHEMBL30933589 0.81 KDM4C (0.59) ROCK2ROCK1KDM4CALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389618-B1 PYRAZOLO 1,5-A PYRIDINES AND MEDICINES CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2011-06-15 EP disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 US disclosed
US-7625925-B2 Pyrazolo[1,5-a]pyridines and medicines containing the same EISAI R&D MANAGEMENT CO., LTD (JP) 2009-12-01 US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 US disclosed
US-20070249663-A1 PYRAZOLO[1,5-a]PYRIDINES AND MEDICINES CONTAINING THE SAME HIBI SHIGEKI 2007-10-25 US disclosed
US-7285666-B2 Pyrazolo[1,5-a] pyridines and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-10-23 US disclosed
US-20060217348-A1 Pyrazolo[1,5-a] pyridines and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-09-28 US disclosed
US-7091215-B2 Pyrazolo[1,5-a]pyridines and medicines containing the same EISAI CO., LTD. (JP) 2006-08-15 US disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 US disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 EP disclosed
US-20040122039-A1 Pyrazolo[1,5-a]pyridines and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-24 US disclosed
EP-1389618-A1 PYRAZOLO 1,5-A]PYRIDINES AND MEDICINES CONTAINING THE SAME Eisai Co., Ltd. (JP) 2004-02-18 EP disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
US-RE32975-E FUNGICIDES, BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
US-4284629-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 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-20070249663-A1 PYRAZOLO[1,5-a]PYRIDINES AND MEDICINES CONTAINING THE SAME NR3C1, NR3C2, NR5A2 ROCK2 3400/4885ROCK1 2012/4885GAA 4846/4885
US-20040122039-A1 Pyrazolo[1,5-a]pyridines and medicines containing the same XDH, NR3C1, NR5A1 ROCK2 3308/4885ROCK1 1317/4885GAA 4692/4885
US-20090156803-A1 Condensed furan compounds F2, F12, F11 ROCK2 4741/4885ROCK1 4544/4885GAA 4223/4885
US-20060217348-A1 Pyrazolo[1,5-a] pyridines and medicines containing the same NR3C1, NR3C2, NR5A2 ROCK2 3400/4885ROCK1 2012/4885GAA 4846/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 ROCK2 4574/4885ROCK1 4259/4885GAA 4234/4885

“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.