SCHEMBL17773293

SCHEMBL17773293

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.57
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
ATAD2 Q6PL18 1/20 0.42
BRD4 O60885 11/20 0.42
BRD2 P25440 3/20 0.42
BRD3 Q15059 1/20 0.42
JAK2 O60674 1/20 0.39
CTSB P07858 1/20 0.38
CREBBP Q92793 2/20 0.37

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
SCHEMBL17807868 0.88 ERN1 (0.58) ERN1ALDH1A1ATAD2BRD4BRD2
SCHEMBL20362715 0.88 ERN1 (0.58) ERN1ATAD2BRD4BRD2BRD3
SCHEMBL16225422 0.86 ERN1 (0.57) ERN1ATAD2BRD4BRD2BRD3
SCHEMBL16110579 0.85 ERN1 (0.56) ERN1ATAD2BRD4BRD2BRD3
SCHEMBL17773291 0.83 ERN1 (0.54) ERN1ALDH1A1ATAD2BRD4BRD2
SCHEMBL16110501 0.80 ERN1 (0.56) ERN1ATAD2BRD4BRD2BRD3
SCHEMBL17875672 0.80 BRD4 (0.48) ERN1ATAD2BRD4BRD2BRD3
SCHEMBL17807842 0.80 BRD4 (0.46) ERN1ATAD2BRD4BRD2BRD3
SCHEMBL16110854 0.80 TDP1 (0.57) ERN1ALDH1A1CYP3A4BRD4BRD2
SCHEMBL16225698 0.79 ATAD2 (0.56) ERN1ATAD2BRD4BRD2CREBBP

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010556-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2018-07-03 US disclosed
US-9999616-B2 2018-06-19 US disclosed
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2018-06-14 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. 2017-08-03 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-06-29 US disclosed
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2017-06-29 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9663520-B2 Bicyclic bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed
US-9636328-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-02 US disclosed
US-9636328-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-02 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-30 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 US disclosed
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. 2016-06-09 US disclosed
US-20160145248-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2016-05-26 US disclosed
US-20160145248-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS LTD. (CA) 2016-05-26 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 (8 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-10010556-B2 Bicyclic bromodomain inhibitors BRD4, BRD3, BRD2 ERN1 1793/4885ALDH1A1 4510/4885CYP3A4 4142/4885
US-20180161337-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ERN1 1478/4885ALDH1A1 4568/4885CYP3A4 4380/4885
US-20170182029-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ERN1 1567/4885ALDH1A1 4515/4885CYP3A4 4167/4885
US-20160145248-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ERN1 1567/4885ALDH1A1 4515/4885CYP3A4 4167/4885
US-20170216301-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ERN1 1478/4885ALDH1A1 4568/4885CYP3A4 4380/4885
US-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ERN1 1567/4885ALDH1A1 4515/4885CYP3A4 4167/4885
US-20160159801-A1 NOVEL BICYCLIC BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ERN1 1478/4885ALDH1A1 4568/4885CYP3A4 4380/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ERN1 1567/4885ALDH1A1 4515/4885CYP3A4 4167/4885

“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.