SCHEMBL840295

SCHEMBL840295

COC(=O)CNCc1ccc(-c2cccc(CN3CCCCC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.41
PARP1 P09874 2/20 0.40
AVPR1B P47901 2/20 0.39
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MOK Q9UQ07 1/20 0.38
MAPT P10636 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
MCHR1 Q99705 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
SCN9A Q15858 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
SCHEMBL840197 0.79 PARP1 (0.41) PARP1AVPR1BKDM4EHRH3NOS3
SCHEMBL13274343 0.75 CYP2D6 (0.50) CYP2D6ALDH1A1
SCHEMBL839479 0.74 CYP2D6 (0.42) PARP1CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL29501461 0.73 KDM4E (0.57) ACP1CYP2D6CYP2C19KDM4EALDH1A1
SCHEMBL840636 0.72 ACP1 (0.39) ACP1PARP1ALDH1A1MCHR1SCN9A
SCHEMBL840383 0.71 HDAC6 (0.39) AVPR1BHRH3
SCHEMBL840384 0.71 HDAC6 (0.39) AVPR1BHRH3
SCHEMBL13274941 0.71 HRH3 (0.50) CYP2D6CYP2C19KDM4EALDH1A1HRH3
SCHEMBL13274864 0.69 HRH3 (0.46) CYP2D6CYP2C19KDM4EHRH3MCHR1
SCHEMBL840087 0.69 NOS1 (0.41) PARP1CYP2D6CYP2C19KDM4EALDH1A1

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 ACP1 3144/4885PARP1 2970/4885AVPR1B 1598/4885

“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.