Hydrochloric Acid

Hydrochloric Acid

SCHEMBL846616

CN1CCN(Cc2ccc(C(=O)O)cc2)CC1.Cl.Cl

nearest known ligand 0.68

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
HDAC6 known ✓ Q9UBN7 2/20 0.68
HRH3 known ✓ Q9Y5N1 2/20 0.60
GAA known ✓ P10253 2/20 0.54
HDAC1 known ✓ Q13547 3/20 0.53
HDAC4 known ✓ P56524 2/20 0.53
HDAC3 known ✓ O15379 1/20 0.53
HDAC7 known ✓ Q8WUI4 1/20 0.53
HDAC2 known ✓ Q92769 1/20 0.53
HDAC10 known ✓ Q969S8 1/20 0.53
HDAC11 known ✓ Q96DB2 1/20 0.53
HDAC8 known ✓ Q9BY41 1/20 0.53
HDAC9 known ✓ Q9UKV0 1/20 0.53
HDAC5 known ✓ Q9UQL6 1/20 0.53
CA2 known ✓ P00918 2/20 0.53
KCNH2 known ✓ Q12809 1/20 0.53
MC4R P32245 1/20 0.61
LMNA P02545 2/20 0.57
CHKA P35790 5/20 0.57
THRB P10828 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54

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 SCHEMBL3272318 1.00 HDAC6 (0.68) HDAC6MC4RHRH3LMNACHKA
Hydrochloric Acid SCHEMBL14763998 1.00 HDAC6 (0.68) HDAC6MC4RHRH3LMNACHKA
Hydrochloric Acid SCHEMBL3664891 0.98 HDAC6 (0.66) HDAC6MC4RHRH3LMNACHKA
Hydrochloric Acid SCHEMBL1583152 0.98 HDAC6 (0.66) HDAC6MC4RHRH3LMNACHKA
SCHEMBL16356429 0.98 HDAC6 (0.69) HDAC6MC4RHRH3LMNACHKA
SCHEMBL65179 0.98 HDAC6 (0.69) HDAC6MC4RHRH3LMNACHKA
Hydrochloric Acid SCHEMBL14763461 0.94 HDAC6 (0.61) HDAC6MC4RHRH3LMNACHKA
Hydrogen Sulfide SCHEMBL27950422 0.92 HDAC6 (0.62) HDAC6MC4RHRH3LMNACHKA
SCHEMBL10074441 0.89 HDAC1 (0.62) HDAC6HRH3LMNAGAATHRB
SCHEMBL15149927 0.88 HDAC6 (0.58) HDAC6MC4RHRH3LMNACHKA

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 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905263-B A kind of preparation method of 4- (4- methyl-1-piperizinylmethyl) benzoic acid dihydrochloride 常州沃腾化工科技有限公司 2019-06-14 CN claimed
CN-103570676-B Preparation of Imatinib mesylate alpha crystal and pharmaceutical composition thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP Co.,Ltd. (CN) 2016-03-16 CN claimed
WO-2015188243-A1 PROCESS FOR PREPARING IMATINIB AND IMATINIB MESYLATE NON-NEEDLE SHAPED α2 FORM CRISTÁLIA PRODUTOS QUÍMICOS FARMACÊUTICOS LTDA (BR) 2015-12-17 WO claimed
WO-2013008242-A1 A PROCESS FOR THE PREPARATION OF HIGHLY PURE 4-(4-METHYL PIPERAZINOMETHYL) BENZOIC ACID DIHYDROCHLORIDE NATCO PHARMA LIMITED (IN) 2013-01-17 WO claimed
WO-2012004801-A1 PROCESS FOR IMATINIB MESYLATE HETERO RESEARCH FOUNDATION (IN) 2012-01-12 WO claimed
CN-101677955-A imatinib mesylate REDDYS LAB LTD DR 2010-03-24 CN claimed
US-12292363-B2 Method for preparing biological material having excellent light-transmitting property RIKEN (JP) 2025-05-06 US disclosed
EP-4045494-B1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE ESCO ASTER PTE LTD (SG) 2023-10-11 EP disclosed
US-11752152-B1 Pharmaceutical formulations of imatinib and uses thereof EXVASTAT LTD (GB) 2023-09-12 US disclosed
US-20230065387-A1 SYNTHESIS OF TYROSINE KINASE INHIBITORS ESCO ASTER PTE. LTD (SG) 2023-03-02 US disclosed
US-20220381657-A1 METHOD FOR PREPARING BIOLOGICAL MATERIAL HAVING EXCELLENT LIGHT-TRANSMITTING PROPERTY RIKEN (JP) 2022-12-01 US disclosed
EP-4045494-A1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE Esco Aster Pte. Ltd. (SG) 2022-08-24 EP disclosed
CN-114585615-A Synthesis of 6-methyl-N1- (4- (pyridin-3-yl) pyrimidin-2-yl) benzene-1, 3-diamine 新加坡艺思高艾斯特生物科技有限公司 2022-06-03 CN disclosed
EP-1724264-A1 NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-22 EP disclosed
US-20050209452-A1 Proliferative disorders; cancer; 4-(4-methylpiperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-benzamide NOVARTIS AG (CH) 2005-09-22 US disclosed
EP-1470120-A1 N-OXYDE OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES Novartis AG (CH) 2004-10-27 EP disclosed
WO-2003062220-A1 N-OXYDE OF N-PHENYL-2-PYRIMIDINE-AMINE DERIVATIVES NOVARTIS AG (CH) 2003-07-31 WO disclosed
EP-0208404-B1 BENZOTHIAZINE DIOXIDE DERIVATIVES PFIZER INC. (US) 1990-08-29 EP disclosed
EP-0208404-A2 Benzothiazine dioxide derivatives PFIZER INC. (US) 1987-01-14 EP disclosed
US-4623486-A [4-substituted benzoyloxy]-N-substituted-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxides having anti-arthritic activity PFIZER INC. (US) 1986-11-18 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 (3 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-11752152-B1 Pharmaceutical formulations of imatinib and uses thereof ABL1, JAK2, ABL2 HDAC6 615/4885HRH3 3411/4885GAA 317/4885
US-20050209452-A1 Proliferative disorders; cancer; 4-(4-methylpiperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-benzamide MKI67, CDK4, NME2 HDAC6 1023/4885HRH3 1339/4885GAA 3671/4885
US-20230065387-A1 SYNTHESIS OF TYROSINE KINASE INHIBITORS ABL1, ROS1, ABL2 HDAC6 2448/4885HRH3 3697/4885GAA 2003/4885

“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.