SCHEMBL875395

SCHEMBL875395

NCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
ST14 Q9Y5Y6 1/20 0.53
AR P10275 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MAOB P27338 2/20 0.44
PLA2G7 Q13093 5/20 0.44
CHEK2 O96017 2/20 0.43
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
GPR84 Q9NQS5 1/20 0.42
RAF1 P04049 2/20 0.42
HDAC3 O15379 1/20 0.42
BRAF P15056 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 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
Trifluoroacetic Acid SCHEMBL9109627 0.91 PPARG (0.53) IDO1ST14PPARGPPARAPLA2G7
SCHEMBL9107327 0.88 IDO1 (0.51) IDO1ARMAOBPLA2G7GPR84
SCHEMBL9105104 0.88 IDO1 (0.51) IDO1ARMAOBPLA2G7GPR84
SCHEMBL875588 0.86 IDO1 (0.51) IDO1ARPPARGPPARAPLA2G7
SCHEMBL9104268 0.84 IDO1 (0.50) IDO1ARPPARGPPARAPLA2G7
SCHEMBL17884158 0.84 IDO1 (0.50) IDO1ARPPARGPPARAPLA2G7
SCHEMBL29918384 0.84 IDO1 (0.50) IDO1ARPPARGPPARAPLA2G7
SCHEMBL9108206 0.84 IDO1 (0.50) IDO1ARPPARGPPARAPLA2G7
SCHEMBL875664 0.84 IDO1 (0.50) IDO1ARPPARGPPARAPLA2G7
SCHEMBL9104262 0.84 IDO1 (0.50) IDO1ARPPARGPPARAPLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239135-B1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-05-04 EP disclosed
EP-3239135-B1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-05-04 EP disclosed
US-10787422-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-09-29 US disclosed
US-20190248751-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-08-15 US disclosed
US-10280146-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-05-07 US disclosed
US-10280146-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-05-07 US disclosed
US-20180009766-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-01-11 US disclosed
EP-3239135-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-11-01 EP disclosed
WO-2016101927-A1 PYRIMIDONE COMPOUNDS USED AS LP-PLA2 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS THEREOF 中国科学院上海药物研究所 2016-06-30 WO disclosed
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2013013503-A1 2,3-DIHYDROIMIDAZO[1,2-C] PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-31 WO disclosed
WO-2013013503-A1 2,3-DIHYDROIMIDAZO[1,2-C] PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-31 WO disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO 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 (6 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-10787422-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof PLA2G12B, PLA2G1B, PLA2G4A IDO1 511/4885ST14 4578/4885AR 1513/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 IDO1 2560/4885ST14 4540/4885AR 4068/4885
US-10280146-B2 Pyrimidone compounds used as Lp-PLA2 inhibitors and pharmaceutical compositions thereof PLA2G12B, PLA2G1B, PLA2G4A IDO1 511/4885ST14 4578/4885AR 1513/4885
US-20180009766-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof PLA2G12B, PLA2G1B, PLA2G4A IDO1 511/4885ST14 4578/4885AR 1513/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 IDO1 2129/4885ST14 4364/4885AR 3517/4885
US-20190248751-A1 Pyrimidone Compounds Used as Lp-PLA2 Inhibitors and Pharmaceutical Compositions Thereof PLA2G12B, PLA2G1B, PLA2G4A IDO1 511/4885ST14 4578/4885AR 1513/4885

“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.