SCHEMBL819819

SCHEMBL819819

CC(=O)C(=Cc1cccc(Cl)c1Cl)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
PTGS2 P35354 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 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
SCHEMBL822890 1.00 KMT2A (0.44) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL822823 0.91 KMT2A (0.47) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL9477455 0.86 CA1 (0.52) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL9477461 0.86 CA1 (0.52) KMT2AMEN1KDM4ECYP1A2CYP3A4
SCHEMBL7008412 0.83 KMT2A (0.52) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL7008421 0.83 KMT2A (0.52) KMT2AMEN1TSHRSMN1; SMN2ALDH1A1
SCHEMBL4539662 0.83 MAPT (0.46) KMT2AMEN1SMN1; SMN2CA1CA2
SCHEMBL10387257 0.83 MAPT (0.46) KMT2AMEN1SMN1; SMN2CA1CA2
SCHEMBL4539659 0.83 MAPT (0.46) KMT2AMEN1SMN1; SMN2CA1CA2
SCHEMBL8015200 0.80 KDM4E (0.38) KMT2AMEN1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0311053-A2 Ameliorant of cerebral circulation and optical isomer of nb-818, processes for its production and its use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-12 EP claimed
EP-3020704-A2 CRYSTALLINE POLYMORPHS OF CLEVIDIPINE BUTYRATE Laboratorios Lesvi, S.L. (ES) 2016-05-18 EP disclosed
EP-2386544-B1 Preparation of dihydropyridines LESVI LABORATORIOS SL (ES) 2016-02-10 EP disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-8455655-B2 Preparation of dihydropyridines LABORATORIOS LESVI, S.L. (ES) 2013-06-04 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
EP-2386544-A1 Preparation of dihydropyridines Laboratorios Lesvi, S.L. (ES) 2011-11-16 EP disclosed
US-20110275825-A1 PREPARATION OF DIHYDROPYRIDINES LABORATORIOS LESVI, S.A. (ES) 2011-11-10 US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP disclosed
EP-0202654-A2 5-Carboxy-1,4-dihydropyrimidine derivatives E.R. Squibb & Sons, Inc. (US) 1986-11-26 EP disclosed
US-4621082-A Pyridopyrimidines, pharmaceutical compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
US-4579859-A HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-01 US disclosed
EP-0127150-A2 2,6-Disubstituted-1,4-dihydropyridine derivative, process for the preparation of the same and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-05 EP disclosed
EP-0116769-A1 Dihydropyridines Pfizer Limited (GB) 1984-08-29 EP disclosed
EP-0007293-B1 2,6-DIMETHYL-4-(2,3-DICHLOROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID-3-METHYL ESTER-5-ETHYL ESTER HAVING HYPOTENSIVE PROPERTIES, PROCESS FOR ITS PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING IT Aktiebolaget Hässle (SE) 1982-06-23 EP disclosed
EP-0031801-A2 6-Substituted 4-(2',3'-dichlorophenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid diesters having hypotensive properties as well as process for their preparation and pharmaceutical preparations containing same Aktiebolaget Hässle (SE) 1981-07-08 EP disclosed
US-4264611-A HYPOTENSIVE AGENTS AKTIEBOLAGET HASSLE (SE) 1981-04-28 US disclosed
EP-0007293-A1 2,6-Dimethyl-4-(2,3-dichlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid-3-methyl ester-5-ethyl ester having hypotensive properties, process for its preparation and pharmaceutical preparations containing it Aktiebolaget Hässle (SE) 1980-01-23 EP 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 KMT2A 3785/4885MEN1 3169/4885KDM4E 1625/4885
US-20110275825-A1 PREPARATION OF DIHYDROPYRIDINES CACNA1C, CACNA1D, CACNB4 KMT2A 2908/4885MEN1 2310/4885KDM4E 885/4885

“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.