SCHEMBL16009506

SCHEMBL16009506

O=[N+]([O-])c1cnc(Nc2ccc(Cl)cc2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 5/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
HTT P42858 1/20 0.43
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
PIN1 Q13526 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
ALOX12 P18054 1/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL16010165 0.86 MEN1 (0.58) AHRTDP1MAPTMEN1KMT2A
SCHEMBL15999439 0.86 MEN1 (0.56) TDP1MAPTMAPK1MEN1KMT2A
SCHEMBL4519799 0.86 AHR (0.54) AHRTDP1MAPTPOLBMAPK1
SCHEMBL20155624 0.78 BCL6 (0.60) TDP1MAPTPOLBMAPK1MEN1
SCHEMBL28390980 0.76 HDAC3 (0.53) AHRMAPTPOLBMAPK1MEN1
SCHEMBL23925574 0.74 ALDH1A1 (0.43) AHRTDP1MAPTPOLBMAPK1
SCHEMBL14909529 0.74 ALDH1A1 (0.43) AHRTDP1MAPTPOLBHTT
SCHEMBL5800553 0.74 MEN1 (0.73) AHRMAPTMEN1KMT2AALDH1A1
SCHEMBL16008477 0.73 HSPB1 (0.45) AHRTDP1MAPTMEN1KMT2A
SCHEMBL116805 0.72 ALDH1A1 (0.43) AHRTDP1MAPTMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970285-B1 FUSED TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
EP-2970285-A1 FUSED TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
US-20150150884-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2015-06-04 US disclosed
US-8980879-B2 Bromodomain inhibitors ABBVIE INC. (US) 2015-03-17 US disclosed
WO-2014164780-A1 FUSED TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140256710-A1 BROMODOMAIN INHIBITORS ABBVIE INC. 2014-09-11 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-20150150884-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 AHR 2481/4885TDP1 655/4885MAPT 1697/4885
US-20140256710-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 AHR 2481/4885TDP1 655/4885MAPT 1697/4885

“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.