SCHEMBL838858

SCHEMBL838858

O=Cc1ccc(-c2ccc(F)c(CN3CCCCC3)n2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HTT P42858 1/20 0.40
ACP1 P24666 2/20 0.39
ALDH1A3 P47895 4/20 0.37
KDM4E B2RXH2 3/20 0.36
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
ERN1 O75460 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL840596 0.83 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTACP1ALDH1A3
SCHEMBL31193388 0.73 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTALDH1A3KDM4E
SCHEMBL839781 0.72 ENPP2 (0.41) ALDH1A1HTTACP1HRH3
SCHEMBL838762 0.68 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HTTKDM4EHRH3
SCHEMBL13038380 0.68 KDM4E (0.48) ALDH1A1SMN1; SMN2ALDH1A3KDM4EHRH3
SCHEMBL19634167 0.67 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTKDM4EHRH3
SCHEMBL1873733 0.67 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2HTTALDH1A3KDM4E
SCHEMBL29728056 0.67 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2HTTALDH1A3KDM4E
SCHEMBL6852399 0.66 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ALDH1A3KDM4E
SCHEMBL15264110 0.66 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2HTTALDH1A3KDM4E

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 2 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
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US 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 3782/4885SMN1; SMN2 87/4885HTT 2261/4885

“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.