SCHEMBL840636

SCHEMBL840636

NC(=O)CNCc1ccc(-c2cccc(CN3CCCCC3)n2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.39
SCN3A Q9NY46 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
JAK2 O60674 1/20 0.36
KCNH2 Q12809 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
SCN9A Q15858 4/20 0.35
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
GAS6 Q14393 1/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
MCHR1 Q99705 1/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL840596 0.76 ALDH1A1 (0.45) ACP1ALDH1A1HTTJAK2KCNH2
SCHEMBL839660 0.76 ALDH1A1 (0.40) ACP1ALDH1A1HTTSCN9APARP1
SCHEMBL19288594 0.74 PRMT6 (0.55) ALDH1A1SPHK2SPHK1PARP1
SCHEMBL840106 0.73 SIGMAR1 (0.43) ACP1ALDH1A1HTT
SCHEMBL840295 0.72 ACP1 (0.41) ACP1ALDH1A1SCN9APARP1MCHR1
SCHEMBL840270 0.71 ALDH1A1 (0.38) ACP1ALDH1A1HTTFLT3TYRO3
SCHEMBL1118921 0.66 KDM4E (0.49) ALDH1A1SCN9APARP1PARP2PARP3
SCHEMBL22395044 0.64 SCN3A (0.48) SCN3AALDH1A1SPHK2SPHK1
SCHEMBL18157904 0.64 CXCR4 (0.66) ALDH1A1HTT
SCHEMBL18532644 0.63 CYP2D6 (0.57) ALDH1A1

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 3144/4885SCN3A 26/4885ALDH1A1 3782/4885

“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.