SCHEMBL16010165

SCHEMBL16010165

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ALOX12 P18054 1/20 0.58
TDP1 Q9NUW8 1/20 0.51
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSPB1 P04792 1/20 0.42
ABCG2 Q9UNQ0 3/20 0.41
HSP90AA1 P07900 1/20 0.41
EGFR P00533 2/20 0.41
LMNA P02545 1/20 0.40
AHR P35869 1/20 0.40
CDK1 P06493 1/20 0.40
GUCY1B2 O75343 1/20 0.40

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
SCHEMBL16009506 0.86 AHR (0.52) MEN1KMT2AALOX12TDP1RAB9A
SCHEMBL15999439 0.86 MEN1 (0.56) MEN1KMT2AALOX12TDP1ALDH1A1
SCHEMBL16008477 0.84 HSPB1 (0.45) MEN1KMT2AALOX12TDP1ALDH1A1
SCHEMBL28221070 0.76 MEN1 (0.72) MEN1KMT2AALOX12RAB9AALDH1A1
SCHEMBL17492679 0.75 AURKA (0.44) MEN1KMT2ATDP1RAB9AALDH1A1
SCHEMBL23925574 0.74 ALDH1A1 (0.43) MEN1KMT2ATDP1ALDH1A1HTT
SCHEMBL14909529 0.74 ALDH1A1 (0.43) TDP1ALDH1A1HTTMAPTLMNA
SCHEMBL912778 0.74 MEN1 (1.00) MEN1KMT2AALOX12RAB9AALDH1A1
SCHEMBL21856625 0.73 L3MBTL1 (0.54) MEN1KMT2AALOX12TDP1RAB9A
SCHEMBL31395345 0.72 HSPB1 (0.58) MEN1KMT2AALOX12TDP1RAB9A

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 MEN1 594/4885KMT2A 350/4885ALOX12 3233/4885
US-20140256710-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 MEN1 594/4885KMT2A 350/4885ALOX12 3233/4885

“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.