SCHEMBL838762

SCHEMBL838762

Fc1ccc(Br)nc1CN1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
GRIN2B Q13224 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL839105 0.84 CYP2A13 (0.47) ALDH1A1HTTSMN1; SMN2HRH3GRIN2B
SCHEMBL840171 0.84 KDM4E (0.54) ALDH1A1KDM4E
SCHEMBL839698 0.83 KMT2A (0.43) ALDH1A1KDM4ECYP2C19CYP1A2
SCHEMBL839362 0.81 ADORA2A (0.36) ALDH1A1HTTCYP2C19CYP2D6
SCHEMBL840714 0.81 PDE2A (0.38) ALDH1A1KDM4EHRH3
SCHEMBL839176 0.80 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2HRH3CYP2C19
SCHEMBL840943 0.80 HDAC4 (0.34)
SCHEMBL19634167 0.78 ALDH1A1 (0.45) ALDH1A1HTTKDM4ESMN1; SMN2HRH3
SCHEMBL2476534 0.78 TRPV3 (0.44) ALDH1A1KDM4E
SCHEMBL19633984 0.75 ALDH1A1 (0.42) ALDH1A1HTTKDM4ESMN1; SMN2HRH3

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 3782/4885HTT 2261/4885KDM4E 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.