SCHEMBL840936

SCHEMBL840936

N#CC1CCCN(Cc2nc(Br)ccc2F)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 1/20 0.34
PDE2A O00408 9/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
DRD4 P21917 1/20 0.32
FGFR1 P11362 2/20 0.32
FGFR3 P22607 2/20 0.32
KDR P35968 2/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
ROCK2 O75116 3/20 0.31
CCR2 P41597 1/20 0.31
ROCK1 Q13464 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL840714 0.82 PDE2A (0.38) PDE2AKDM4EALDH1A1LMNADRD4
SCHEMBL839176 0.81 ALDH1A1 (0.50) PDE2AKDM4EALDH1A1LMNA
SCHEMBL2476534 0.79 TRPV3 (0.44) PDE2AKDM4EALDH1A1LMNA
SCHEMBL838762 0.77 ALDH1A1 (0.47) KDM4EALDH1A1
SCHEMBL839362 0.69 ADORA2A (0.36) ALDH1A1
SCHEMBL839105 0.69 CYP2A13 (0.47) ALDH1A1
SCHEMBL6646032 0.69 CYP2D6 (0.60) KDM4EALDH1A1
SCHEMBL840171 0.69 KDM4E (0.54) KDM4EALDH1A1
SCHEMBL840943 0.68 HDAC4 (0.34)
SCHEMBL839698 0.68 KMT2A (0.43) KDM4EALDH1A1LMNA

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 AVPR1B 1598/4885PDE2A 3332/4885KDM4E 2573/4885

“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.