SCHEMBL17875697

SCHEMBL17875697

Cc1noc(C)c1-c1ccc(N)c([N+](=O)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ERN1 O75460 1/20 0.38
BRD4 O60885 6/20 0.37
BRD2 P25440 2/20 0.37
MBOAT4 Q96T53 1/20 0.37
TLR8 Q9NR97 1/20 0.36
POLB P06746 1/20 0.35
BRD3 Q15059 1/20 0.35
AR P10275 1/20 0.34
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 3/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HIF1A Q16665 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
JAK2 O60674 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL18319367 0.81 ERN1 (0.43) ALDH1A1ERN1BRD4BRD2MBOAT4
SCHEMBL17875696 0.77 BRD4 (0.44) ALDH1A1BRD4BRD2MBOAT4TLR8
SCHEMBL18319705 0.75 ERN1 (0.43) ALDH1A1ERN1BRD4BRD2TDP1
SCHEMBL16110854 0.72 TDP1 (0.57) ALDH1A1ERN1BRD4BRD2POLB
SCHEMBL17807853 0.71 ERN1 (0.45) ALDH1A1ERN1BRD4CYP3A4TDP1
SCHEMBL545400 0.70 CYP1A2 (0.43) ALDH1A1ERN1BRD4BRD2POLB
SCHEMBL3889591 0.70 BRD4 (0.57) ALDH1A1ERN1BRD4BRD2POLB
SCHEMBL29741402 0.69 ERN1 (0.52) ERN1BRD4BRD2BRD3TDP1
SCHEMBL20094000 0.69 ERN1 (0.52) ERN1BRD4BRD2BRD3TDP1
SCHEMBL18319531 0.68 ERN1 (0.38) ALDH1A1ERN1BRD4BRD2TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999616-B2 2018-06-19 US disclosed
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 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-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-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

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-20160184273-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ALDH1A1 4515/4885ERN1 1567/4885BRD4 1/4885
US-20170216257-A1 NOVEL SUBSTITUTED BICYCLIC COMPOUNDS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 ALDH1A1 4515/4885ERN1 1567/4885BRD4 1/4885

“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.