SCHEMBL840270

SCHEMBL840270

CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)c(F)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
CHKA P35790 2/20 0.36
ACP1 P24666 2/20 0.34
S1PR3 Q99500 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
CLPP Q16740 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 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
SCHEMBL840172 0.86 HRH3 (0.41) PARP1PRMT5WDR77
SCHEMBL839660 0.81 ALDH1A1 (0.40) ALDH1A1HTTCHKAACP1SMN1; SMN2
SCHEMBL840115 0.80 HRH3 (0.41) PARP1
SCHEMBL839667 0.77 CXCR4 (0.44) DYRK1APARP1
SCHEMBL839122 0.76 JAK1 (0.38) ACP1PRMT5WDR77FLT3MERTK
SCHEMBL1998795 0.75 CYP2D6 (0.49)
SCHEMBL839469 0.75 HRH3 (0.43) PARP1
SCHEMBL840384 0.75 HDAC6 (0.39)
SCHEMBL840383 0.75 HDAC6 (0.39)
SCHEMBL2001267 0.74 CHKA (0.41) ALDH1A1CHKAADORA2AADORA1DYRK1A

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 ALDH1A1 3782/4885HTT 2261/4885CHKA 1593/4885

“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.