SCHEMBL16008477

SCHEMBL16008477

O=[N+]([O-])c1cnc(Nc2ccc(F)cc2F)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALOX12 P18054 1/20 0.43
ZAP70 P43403 1/20 0.42
SOS1 Q07889 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.39
AHR P35869 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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 0.84 MEN1 (0.58) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL23779899 0.81 MAPT (0.53) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL21652751 0.81 MAPT (0.53) HSPB1MEN1KMT2AMAPTALDH1A1
SCHEMBL30194046 0.76 ATM (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL28509223 0.76 ATM (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL15999439 0.75 MEN1 (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL16009506 0.73 AHR (0.52) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL16049221 0.73 HSPB1 (0.63) HSPB1MAPTHTTTDP1GAA
SCHEMBL14909529 0.72 ALDH1A1 (0.43) MAPTALDH1A1LMNAHTTTDP1
SCHEMBL23925574 0.72 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2021-03-11 US disclosed
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2020-09-17 US disclosed
EP-3539962-A1 TETRACYCLIC BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2019-09-18 EP disclosed
EP-2970330-B1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
EP-2970285-B1 FUSED TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2019-04-17 EP disclosed
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC (US) 2018-10-18 US disclosed
US-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors ABBVIE INC. (US) 2018-07-31 US disclosed
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS ABBVIE INC. 2016-02-11 US 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 (7 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-10035800-B2 Substituted 1,4,10-triazadibenzo[cd,f]azulenes, substituted 1,4,5,10-tetraazadibenzo[cd,f]azulenes and substituted 1,4,5,7,10-pentaazadibenzo[cd,f]azulenes as bromodomain inhibitors BRD1, BRD3, BRD4 HSPB1 2010/4885MEN1 1300/4885KMT2A 2376/4885
US-20180298003-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 HSPB1 3072/4885MEN1 792/4885KMT2A 577/4885
US-20200291027-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 HSPB1 3072/4885MEN1 792/4885KMT2A 577/4885
US-20210070756-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 HSPB1 3072/4885MEN1 792/4885KMT2A 577/4885
US-20150150884-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HSPB1 2774/4885MEN1 594/4885KMT2A 350/4885
US-20160039821-A1 TETRACYCLIC BROMODOMAIN INHIBITORS BRD3, BRD4, BRD1 HSPB1 3184/4885MEN1 736/4885KMT2A 611/4885
US-20140256710-A1 BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HSPB1 2774/4885MEN1 594/4885KMT2A 350/4885

“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.