SCHEMBL9107905

SCHEMBL9107905

N#C/C=C/c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NQO2 P16083 1/20 0.41
PTGS1 P23219 1/20 0.40
SCN4A P35499 1/20 0.40
SCN9A Q15858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SOS1 Q07889 1/20 0.38
HSPB1 P04792 1/20 0.38
FDPS P14324 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL9107907 1.00 NFE2L2 (0.48) NFE2L2KDM4EALDH1A1L3MBTL1NQO2
SCHEMBL18160982 0.88 KDM4E (0.55) NFE2L2KDM4EALDH1A1PTGS1HSD11B1
SCHEMBL22065499 0.88 KDM4E (0.55) NFE2L2KDM4EALDH1A1PTGS1HSD11B1
SCHEMBL18160977 0.88 KDM4E (0.55) NFE2L2KDM4EALDH1A1PTGS1HSD11B1
SCHEMBL2986381 0.88 KDM4E (0.55) NFE2L2KDM4EALDH1A1PTGS1HSD11B1
SCHEMBL2986380 0.88 KDM4E (0.55) NFE2L2KDM4EALDH1A1PTGS1HSD11B1
SCHEMBL1163253 0.83 TLR4 (0.50) KDM4EALDH1A1L3MBTL1
SCHEMBL10031850 0.82 NFE2L2 (0.68) NFE2L2NQO2PTGS1
SCHEMBL10471096 0.81 KDM4E (0.46) NFE2L2KDM4EALDH1A1L3MBTL1CYP1A2
SCHEMBL10471095 0.81 KDM4E (0.46) NFE2L2KDM4EALDH1A1L3MBTL1CYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US 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-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 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 (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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 NFE2L2 869/4885KDM4E 3871/4885ALDH1A1 3079/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 NFE2L2 869/4885KDM4E 3871/4885ALDH1A1 3079/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B NFE2L2 1877/4885KDM4E 3024/4885ALDH1A1 1976/4885

“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.