SCHEMBL840608

SCHEMBL840608

CCN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.41
PARP1 P09874 3/20 0.38
HRH4 Q9H3N8 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
CHRM1 P11229 2/20 0.34
HTR2A P28223 2/20 0.34
MCHR1 Q99705 2/20 0.34
TRPV3 Q8NET8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ENPP2 Q13822 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
SCHEMBL840609 0.90 JAK2 (0.38) PARP1JAK2JAK3HDAC6HDAC1
SCHEMBL840699 0.89 HRH3 (0.41) HRH3PARP1HRH4JAK2JAK3
SCHEMBL838838 0.89 PARP1 (0.40) HRH3PARP1ALDH1A1HDAC6HDAC1
SCHEMBL840715 0.89 HRH3 (0.40) HRH3PARP1HRH4ALDH1A1HTT
SCHEMBL839466 0.83 ENPP2 (0.49) HRH3PARP1HRH4JAK2JAK3
SCHEMBL840567 0.83 JAK2 (0.37) PARP1JAK2JAK3HDAC6HDAC1
SCHEMBL839469 0.82 HRH3 (0.43) HRH3PARP1HRH4JAK2JAK3
SCHEMBL839137 0.80 JAK2 (0.36) JAK2JAK3HDAC6HDAC1HDAC2
SCHEMBL839534 0.79 JAK2 (0.38) PARP1JAK2JAK3HDAC6HDAC1
SCHEMBL839474 0.76 ENPP2 (0.47) PARP1JAK2JAK3PARP2MCHR1

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 8 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
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 HRH3 18/4885PARP1 2970/4885HRH4 9/4885

“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.