SCHEMBL839362

SCHEMBL839362

Fc1ccc(Br)nc1CN1CCCC(F)(F)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.36
ADORA1 P30542 5/20 0.36
GRM2 Q14416 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
DHODH Q02127 1/20 0.35
GRM4 Q14833 2/20 0.34
CNR2 P34972 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
DRD1 P21728 1/20 0.32
DRD3 P35462 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
IDH1 O75874 1/20 0.31
CYP3A4 P08684 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
SCHEMBL840943 0.85 HDAC4 (0.34)
SCHEMBL838762 0.81 ALDH1A1 (0.47) ALDH1A1HTTCYP2D6CYP2C19
SCHEMBL839437 0.77 FAAH (0.43) ADORA2AADORA1GRM2HDAC8DHODH
SCHEMBL840714 0.73 PDE2A (0.38) GRM2CNR2PDCD1CD274TRPV3
SCHEMBL839105 0.73 CYP2A13 (0.47) ADORA2AADORA1MEN1KMT2AALDH1A1
SCHEMBL840171 0.73 KDM4E (0.54) MEN1KMT2AALDH1A1
SCHEMBL839176 0.72 ALDH1A1 (0.50) MEN1KMT2AALDH1A1CYP3A4CYP2C19
SCHEMBL839698 0.71 KMT2A (0.43) GRM2DHODHCNR2MEN1KMT2A
SCHEMBL16416933 0.71 ALDH1A1 (0.47) DHODHALDH1A1HTTCYP3A4CYP2D6
SCHEMBL15260143 0.70 CNR2 (0.44) ADORA2AADORA1GRM2DHODHGRM4

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 ADORA2A 1655/4885ADORA1 905/4885GRM2 118/4885

“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.