SCHEMBL839660

SCHEMBL839660

O=C1CN(Cc2ccc(-c3cccc(CN4CCCCC4)n3)c(F)c2)C(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CHKA P35790 2/20 0.38
ACP1 P24666 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
CXCR4 P61073 1/20 0.34
DDB1 Q16531 3/20 0.34
CRBN Q96SW2 3/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
CLPP Q16740 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
CHEK1 O14757 1/20 0.34
PARP1 P09874 2/20 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
SCHEMBL838855 0.83 CYP2D6 (0.44) TLR8TLR7CXCR4DDB1CRBN
SCHEMBL840270 0.81 ALDH1A1 (0.38) ALDH1A1HTTCHKAACP1SMN1; SMN2
SCHEMBL840636 0.76 ACP1 (0.39) ALDH1A1HTTACP1PARP1SCN9A
SCHEMBL840596 0.75 ALDH1A1 (0.45) ALDH1A1HTTACP1SMN1; SMN2CLK2
SCHEMBL839781 0.68 ENPP2 (0.41) ALDH1A1HTTCHKAACP1CLPP
SCHEMBL840115 0.68 HRH3 (0.41) HTR1ADRD2PARP1SCN9A
SCHEMBL839962 0.66 HRH3 (0.41) ALDH1A1HTR1ADRD2PARP1SCN9A
SCHEMBL839469 0.66 HRH3 (0.43) HTR1ADRD2PARP1
SCHEMBL840327 0.65 ENPP2 (0.51) HTR1ADRD2PARP1
SCHEMBL840546 0.65 HRH3 (0.39) ALDH1A1CXCR4HTR1ADRD2PARP1

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 2261/4885TLR8 308/4885

“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.