SCHEMBL16110653

SCHEMBL16110653

Cc1noc(C)c1-c1cc(I)c(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.49
BRD4 O60885 6/20 0.39
ATAD2 Q6PL18 1/20 0.37
FTO Q9C0B1 7/20 0.37
P2RY14 Q15391 1/20 0.36
MLYCD O95822 1/20 0.36
BRD2 P25440 1/20 0.35
CREBBP Q92793 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
SCHEMBL16110687 0.82 ERN1 (0.54) ERN1BRD4ATAD2FTOBRD2
SCHEMBL16110765 0.78 ERN1 (0.50) ERN1BRD4BRD2
SCHEMBL16110737 0.76 ERN1 (0.46) ERN1BRD4ATAD2FTOMLYCD
SCHEMBL16110579 0.75 ERN1 (0.56) ERN1BRD4ATAD2BRD2CREBBP
SCHEMBL16110501 0.75 ERN1 (0.56) ERN1BRD4ATAD2BRD2CREBBP
SCHEMBL20362753 0.73 ERN1 (0.56) ERN1BRD4ATAD2FTOBRD2
SCHEMBL28358908 0.72 GAA (0.36) ERN1
SCHEMBL16140186 0.71 ERN1 (0.52) ERN1BRD4ATAD2BRD2CREBBP
SCHEMBL16110947 0.71 ERN1 (0.52) ERN1BRD4ATAD2FTOBRD2
SCHEMBL16225411 0.71 ERN1 (0.54) ERN1BRD4FTO

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2978759-B1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES INC (US) 2017-03-15 EP disclosed
US-9255089-B2 Benzimidazolone derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-02-09 US disclosed
US-9255089-B2 Benzimidazolone derivatives as bromodomain inhibitors GILEAD SCIENCES, INC. (US) 2016-02-09 US disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 US disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 US disclosed
US-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. 2016-02-04 US disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 US disclosed
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-10-02 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 (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-20160031868-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ERN1 1040/4885BRD4 1/4885ATAD2 325/4885
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ERN1 1040/4885BRD4 1/4885ATAD2 325/4885

“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.