SCHEMBL839567

SCHEMBL839567

O=C1CN(Cc2ccc(-c3ccc(F)c(CNC4CCOCC4)n3)cc2)C(=O)N1C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.44
MAPK1 P28482 7/20 0.40
PARP1 P09874 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
MAPK3 P27361 4/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
TRPV3 Q8NET8 4/20 0.36
MTOR P42345 2/20 0.35
MAP4K4 O95819 1/20 0.34
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL839324 0.85 MAPK1 (0.39) MAPK1PARP1OPRM1OPRK1MAPK3
SCHEMBL840720 0.84 ENPP2 (0.46) ENPP2MAPK1OPRM1OPRK1MAPK3
SCHEMBL840103 0.84 MAPK1 (0.40) MAPK1PARP1OPRM1OPRK1MAPK3
SCHEMBL840721 0.84 MAPK1 (0.40) MAPK1PARP1OPRM1OPRK1MAPK3
SCHEMBL839466 0.78 ENPP2 (0.49) ENPP2PARP1ATR
SCHEMBL839915 0.78 ENPP2 (0.46) ENPP2
SCHEMBL838691 0.74 ENPP2 (0.43) ENPP2
SCHEMBL1997682 0.70 PARP1 (0.44) ENPP2MAPK1PARP1OPRM1OPRK1
SCHEMBL838707 0.69 TRPV3 (0.38) MAPK1OPRM1OPRK1MAPK3TRPV3
SCHEMBL838711 0.69 PRKD1 (0.37) MAPK1OPRM1OPRK1MAPK3MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US claimed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US claimed
US-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 US disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 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 (1 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-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 ENPP2 1230/4885MAPK1 2519/4885PARP1 2970/4885

“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.