SCHEMBL16110765

SCHEMBL16110765

Cc1noc(C)c1-c1cc(I)c(NC2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.50
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALOX15 P16050 3/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
BRD4 O60885 12/20 0.41
BRD2 P25440 5/20 0.41
BRD3 Q15059 5/20 0.41
CYP2C9 P11712 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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 0.86 ERN1 (0.54) ERN1CYP1A2LMNAHIF1ABRD4
SCHEMBL16111048 0.80 CYP3A4 (0.45) CYP3A4CYP1A2CYP2C19HSD17B10TDP1
SCHEMBL16110653 0.78 ERN1 (0.49) ERN1BRD4BRD2
SCHEMBL16110579 0.78 ERN1 (0.56) ERN1BRD4BRD2BRD3
SCHEMBL16110501 0.78 ERN1 (0.56) ERN1BRD4BRD2BRD3
SCHEMBL20362753 0.76 ERN1 (0.56) ERN1CYP1A2LMNAHIF1ABRD4
SCHEMBL20093936 0.76 TP53 (0.50) ERN1CYP3A4CYP1A2CYP2C19HSD17B10
SCHEMBL20093733 0.75 TP53 (0.57) ERN1CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL22133826 0.75 TP53 (0.49) ERN1CYP3A4CYP1A2CYP2C19HSD17B10
SCHEMBL20094329 0.75 TP53 (0.49) ERN1CYP3A4CYP1A2CYP2C19HSD17B10

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 1040/4885CYP3A4 3554/4885CYP1A2 3864/4885
US-20140296246-A1 BENZIMIDAZOLONE DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 ERN1 1040/4885CYP3A4 3554/4885CYP1A2 3864/4885

“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.