SCHEMBL840103

SCHEMBL840103

O=C1CN(Cc2ccc(-c3ccc(F)c(CNC4CCOCC4)n3)cc2)C(=O)N1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.40
TRPV3 Q8NET8 7/20 0.37
MAPK3 P27361 4/20 0.36
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
MTOR P42345 2/20 0.35
PARP1 P09874 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAP4K4 O95819 1/20 0.34

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
SCHEMBL840721 0.88 MAPK1 (0.40) MAPK1TRPV3MAPK3CCNA2CDK2
SCHEMBL839324 0.88 MAPK1 (0.39) MAPK1TRPV3MAPK3CCNA2CDK2
SCHEMBL838707 0.86 TRPV3 (0.38) MAPK1TRPV3MAPK3MTOROPRM1
SCHEMBL839567 0.84 ENPP2 (0.44) MAPK1TRPV3MAPK3CCNA2CDK2
SCHEMBL2004612 0.84 PARP1 (0.43) MAPK1MAPK3CCNA2CDK2MTOR
SCHEMBL2005342 0.79 HTR5A (0.41) MAPK1MAPK3MTORPARP1OPRM1
SCHEMBL2004454 0.79 PARP1 (0.39) MAPK1MAPK3CCNA2CDK2MTOR
SCHEMBL2005526 0.79 PARP1 (0.39) MAPK1MAPK3CCNA2CDK2MTOR
SCHEMBL2004457 0.79 PARP1 (0.39) MAPK1MAPK3CCNA2CDK2MTOR
SCHEMBL1997682 0.74 PARP1 (0.44) MAPK1MAPK3CCNA2CDK2MTOR

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 6 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
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP claimed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US claimed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 WO 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 MAPK1 2519/4885TRPV3 627/4885MAPK3 1493/4885

“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.