SCHEMBL840331

SCHEMBL840331

O=C1CN(Cc2ccc(Br)cc2)C(=O)N1CC(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
ENPP2 Q13822 3/20 0.39
CHRM5 P08912 2/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL840164 0.86 HDAC6 (0.50) HDAC6HDAC1HDAC2HDAC8ENPP2
SCHEMBL839218 0.81 HDAC6 (0.50) HDAC6HDAC1HDAC2HDAC8ENPP2
SCHEMBL839553 0.80 HDAC6 (0.45) HDAC6HDAC1HDAC2HDAC8ENPP2
SCHEMBL839274 0.78 HDAC6 (0.54) HDAC6HDAC1HDAC2HDAC8ENPP2
SCHEMBL840710 0.77 HDAC6 (0.45) HDAC6HDAC1HDAC2HDAC8ENPP2
SCHEMBL839497 0.76 HDAC6 (0.52) HDAC6HDAC1HDAC2HDAC8ENPP2
SCHEMBL840558 0.75 HDAC6 (0.43) HDAC6HDAC1HDAC2HDAC8ENPP2
SCHEMBL840605 0.75 HDAC6 (0.51) HDAC6HDAC1HDAC2HDAC8ENPP2
SCHEMBL838675 0.74 ENPP2 (0.43) HDAC6HDAC1HDAC2HDAC8ENPP2
SCHEMBL840615 0.74 HDAC6 (0.43) HDAC6HDAC1HDAC2HDAC8ENPP2

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 8 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
EP-2373627-A1 1- (BIPHENYL-4-YLMETHYL) IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS N.V. Organon (NL) 2011-10-12 EP disclosed
US-7960560-B2 1-(biphenyl-4-ylmethyl)imidazolidine-2,4-dione N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE N. V. ORGANON 2010-06-10 US disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 US disclosed
WO-2010063721-A1 1- (BIPHENYL-4-YLMETHYL) IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS N.V. ORGANON (NL) 2010-06-10 WO 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 (2 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-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE OPRM1, OR10J3, OPRD1 HDAC6 2041/4885HDAC1 1502/4885HDAC2 1060/4885
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 HDAC6 1380/4885HDAC1 1398/4885HDAC2 1575/4885

“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.