SCHEMBL840197

SCHEMBL840197

COC(=O)CN(Cc1ccc(-c2cccc(CN3CCCCC3)n2)cc1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.41
AOC3 Q16853 1/20 0.40
SCN9A Q15858 5/20 0.40
NOS1 P29475 2/20 0.37
HRH3 Q9Y5N1 3/20 0.37
AVPR1B P47901 1/20 0.37
NOS3 P29474 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL840295 0.79 ACP1 (0.41) PARP1SCN9ANOS1HRH3AVPR1B
SCHEMBL1994150 0.70 DHODH (0.43) HRH3
SCHEMBL29501461 0.69 KDM4E (0.57) KDM4E
SCHEMBL840087 0.68 NOS1 (0.41) PARP1NOS1HRH3KDM4E
SCHEMBL839479 0.68 CYP2D6 (0.42) PARP1SCN9AHRH3KDM4E
SCHEMBL840383 0.67 HDAC6 (0.39) HRH3AVPR1B
SCHEMBL840384 0.67 HDAC6 (0.39) HRH3AVPR1B
SCHEMBL1996221 0.67 MEN1 (0.41) KDM4E
SCHEMBL839469 0.67 HRH3 (0.43) PARP1HRH3
SCHEMBL16129946 0.66 SCN9A (0.61) SCN9A

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 disclosed
EP-2373639-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. Organon (NL) 2011-10-12 EP disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010063666-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V. ORGANON (NL) 2010-06-10 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 (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 PARP1 2970/4885AOC3 892/4885SCN9A 28/4885

“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.