Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2991114

CCCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OCCN4CCCCC4)cc3)n2)c1.Cl.Cl

nearest known ligand 0.57

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
ROCK1 known ✓ Q13464 1/20 0.48
ACHE known ✓ P22303 1/20 0.47
ABL1 known ✓ P00519 1/20 0.46
BCR known ✓ P11274 1/20 0.46
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 6/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
THRB P10828 2/20 0.57
HPGD P15428 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.49
PRKACA P17612 1/20 0.48
MCHR1 Q99705 2/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL1716945 0.99 KMT2A (0.58) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1726019 0.86 KMT2A (0.66) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL13198964 0.85 KMT2A (0.49) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1717643 0.85 MAPT (0.57) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1717639 0.85 MAPT (0.57) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1716666 0.83 KMT2A (0.62) KMT2AMEN1NPC1MAPTKDM4E
Hydrochloric Acid SCHEMBL2990013 0.82 KMT2A (0.61) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1717615 0.82 KMT2A (0.61) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL2977848 0.82 KMT2A (0.61) KMT2AMEN1NPC1MAPTKDM4E
SCHEMBL1717285 0.81 KMT2A (0.60) KMT2AMEN1NPC1MAPTKDM4E

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
US-7777041-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-17 US disclosed
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
US-7504511-B2 2-acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-03-17 US disclosed
US-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof SANOFI-AVENTIS (FR) 2006-06-22 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 (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-20060135575-A1 2-Acylamino-4-phenylthiazole derivatives, preparation thereof and therapeutic application thereof PAH, ABAT, AADAT ROCK1 4707/4885ACHE 3660/4885ABL1 124/4885
US-20090156574-A1 2-ACYLAMINO-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF PAH, ABAT, AADAT ROCK1 4707/4885ACHE 3660/4885ABL1 124/4885

“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.