Hydrochloric Acid

Hydrochloric Acid

SCHEMBL273187

CCOC(=O)CNCc1c([N+](=O)[O-])ccc(Cl)c1Cl.Cl

nearest known ligand 0.44

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 2/20 0.37
LMNA P02545 4/20 0.44
THRB P10828 2/20 0.43
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 7/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
VCAM1 P19320 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
POLB P06746 1/20 0.36
FBP1 P09467 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCL6 P41182 1/20 0.36
BCOR Q6W2J9 1/20 0.36

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
SCHEMBL273112 0.99 LMNA (0.45) LMNATHRBTDP1MAPTKDM4E
Hydrochloric Acid SCHEMBL5710125 0.89 TDP1 (0.43) LMNATHRBTDP1MAPTKDM4E
SCHEMBL27919377 0.88 TDP1 (0.44) LMNATHRBTDP1MAPTKDM4E
SCHEMBL2476369 0.86 TDP1 (0.38) LMNATHRBTDP1MAPTALDH1A1
SCHEMBL16063623 0.84 LMNA (0.45) LMNATHRBMAPTKDM4EALDH1A1
SCHEMBL7653910 0.84 TDP1 (0.38) LMNATHRBTDP1MAPTKDM4E
SCHEMBL2476365 0.83 TDP1 (0.40) LMNATHRBTDP1MAPTKDM4E
Hydrochloric Acid SCHEMBL4432331 0.82 MAPT (0.49) LMNATDP1MAPTKDM4EALDH1A1
SCHEMBL2720971 0.81 TDP1 (0.47) LMNATDP1MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5710126 0.80 PPID (0.41) LMNAMAPTKDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254197-A Preparation method of anagrelide hydrochloride UNIV HEILONGJIANG 2013-08-21 CN disclosed
US-8133996-B2 Process for the preparation of ethyl-N-(2,3-dichloro-6-nitrobenzyl)glycine hydrochloride CIPLA LIMITED (IN) 2012-03-13 US disclosed
US-8133996-B2 Process for the preparation of ethyl-N-(2,3-dichloro-6-nitrobenzyl)glycine hydrochloride CIPLA LIMITED (IN) 2012-03-13 US disclosed
US-20100305318-A1 Process for the Manufacture of Anagrelide Hydrochloride Monohydrate Watson Pharma Private Limited (IN) 2010-12-02 US disclosed
EP-2222375-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF ANAGRELIDE HIDROCHLORIDE MONHYDRATE Watson Pharma Private Limited (IN) 2010-09-01 EP disclosed
US-20100075999-A1 Process for the Preparation of Ethyl-N-(2,3-Dichloro-6-Nitrobenzyl)Glycine Hydrochloride CIPLA LIMITED (IN) 2010-03-25 US disclosed
US-20100075999-A1 Process for the Preparation of Ethyl-N-(2,3-Dichloro-6-Nitrobenzyl)Glycine Hydrochloride CIPLA LIMITED (IN) 2010-03-25 US disclosed
EP-2114856-A1 PROCESS FOR THE PREPARATION OF ETHYL-N-(2, 3-DICHLORO-6-NITROBENZYL) GLYCINE HYDROCHLORIDE Cipla Limited (IN) 2009-11-11 EP disclosed
WO-2009087673-A1 IMPROVED PROCESS FOR THE MANUFACTURE OF ANAGRELIDE HIDROCHLORIDE MONHYDRATE Watson Pharma Private Limited (IN) 2009-07-16 WO disclosed
WO-2008096145-A1 PROCESS FOR THE PREPARATION OF ETHYL-N-(2, 3-DICHLORO-6-NITROBENZYL) GLYCINE HYDROCHLORIDE CIPLA LIMITED (IN) 2008-08-14 WO disclosed
EP-1700842-A2 Method for the Manufacture of Anagrelide Shire US Inc. (US) 2006-09-13 EP disclosed
US-20060148832-A1 Use of 2-amino-2h-quinazoline derivatives for producing therapeutic agents CHEMISCH-PHARMAZEU TISCHES LABOR ROLF SACHSE GMBH (DE) 2006-07-06 US disclosed
EP-1581506-A1 USE OF 2-AMINO-2H-QUINAZOLINE DERIVATIVES FOR PRODUCING THERAPEUTIC AGENTS Chemisch-Pharmazeutisches Labor Rolf Sachse GmbH (DE) 2005-10-05 EP disclosed
WO-2004063172-A1 USE OF 2-AMINO-2H-QUINAZOLINE DERIVATIVES FOR PRODUCING THERAPEUTIC AGENTS CHEMISCH-PHARMAZEU TISCHES LABOR ROLF SACHSE GMBH (DE) 2004-07-29 WO disclosed
EP-1373268-A2 METHOD FOR THE MANUFACTURE OF ANAGRELIDE Shire US Inc. (US) 2004-01-02 EP disclosed
US-6653500-B2 Making ethyl N-(2,3-dichloro-6-nitrobenzyl)glycine from 2,3-dichlorobenzaldehyde, reducing the glycine compound using tin dichloride or a catalyst and cyclization of the corresponding iminoquinazoline compound SHIRE US INC. 2003-11-25 US disclosed
US-20030060630-A1 Method for the manufacture of Anagrelide SHIRE US INC. 2003-03-27 US disclosed
US-6388073-B1 NITRATION A 3,4-DICHLOROBENZALDEHYDE; REDUCING; CHLORINATION; ALKYLATION; BROMOCYANATION; CHLIZATION SHIRE US INC. 2002-05-14 US disclosed
WO-2002008228-A2 METHOD FOR THE MANUFACTURE OF ANAGRELIDE SHIRE US INC (US) 2002-01-31 WO disclosed
US-4146718-A BLOOD PLATELET ANTIAGGREGATIVE AGENT BRISTOL-MYERS COMPANY (US) 1979-03-27 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 (4 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-20060148832-A1 Use of 2-amino-2h-quinazoline derivatives for producing therapeutic agents ABL1, JAK2, HRH2 GAA 4085/4885LMNA 4371/4885THRB 3048/4885
US-20100305318-A1 Process for the Manufacture of Anagrelide Hydrochloride Monohydrate GCGR, MPL, UGT1A9 GAA 568/4885LMNA 3728/4885THRB 4131/4885
US-20030060630-A1 Method for the manufacture of Anagrelide SUCLG2, PDCD2L, ICOSLG GAA 313/4885LMNA 2498/4885THRB 4635/4885
US-20100075999-A1 Process for the Preparation of Ethyl-N-(2,3-Dichloro-6-Nitrobenzyl)Glycine Hydrochloride CDK13, CBR3, SUCNR1 GAA 3710/4885LMNA 3964/4885THRB 4469/4885

“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.