SCHEMBL5430278

SCHEMBL5430278

O=CNc1c(F)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
GPR35 Q9HC97 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HIF1A Q16665 1/20 0.35
S100A4 P26447 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 3/20 0.34
PKM P14618 1/20 0.34
ACLY P53396 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPK1 P28482 2/20 0.33
VCAM1 P19320 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL14858457 0.82 ERN1 (0.45) ERN1GPR35TDP1AKR1B1ALDH1A1
SCHEMBL25168510 0.80 ERN1 (0.39) ERN1TDP1ATMAKR1B1ALDH1A1
SCHEMBL31423225 0.78 ERN1 (0.51) ERN1GPR35TDP1ATMAKR1B1
SCHEMBL16637008 0.78 ERN1 (0.51) ERN1GPR35TDP1ATMAKR1B1
SCHEMBL14249509 0.76 MAPT (0.41) ERN1TDP1ATMAKR1B1ALDH1A1
SCHEMBL12582147 0.74 ALDH1A1 (0.47) ERN1GPR35TDP1ATMAKR1B1
SCHEMBL17699766 0.73 ERN1 (0.44) ERN1GPR35TDP1ATMAKR1B1
SCHEMBL16005316 0.73 ERN1 (0.44) ERN1GPR35TDP1ATMAKR1B1
SCHEMBL29782441 0.73 ERN1 (0.44) ERN1GPR35TDP1ATMAKR1B1
SCHEMBL116055 0.73 ERN1 (0.43) ERN1GPR35TDP1ATMAKR1B1

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-9938261-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2018-04-10 US disclosed
EP-2766359-B9 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2017-04-05 EP disclosed
US-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2016-12-15 US disclosed
US-9452167-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-09-27 US disclosed
EP-2766359-B1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES AMBIT BIOSCIENCES CORP (US) 2016-04-13 EP disclosed
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2015-07-16 US disclosed
US-8952058-B2 Heterocyclic compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2015-02-10 US disclosed
EP-2766359-A2 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS MODULATORS OF TYPE III RECEPTOR TYROSINE KINASES Ambit Biosciences Corporation (US) 2014-08-20 EP disclosed
WO-2013056070-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-04-18 WO disclosed
US-20130096113-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-04-18 US disclosed
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US disclosed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO 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 (4 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-20070265345-A1 Novel Biphenyl Compounds And Their Use KIF5B, KIF5C, KIF5A ERN1 3518/4885GPR35 975/4885TDP1 1180/4885
US-20160362405-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA ERN1 3233/4885GPR35 488/4885TDP1 3212/4885
US-20130096113-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA ERN1 3233/4885GPR35 488/4885TDP1 3212/4885
US-20150196566-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FLT3, PDGFRB, PDGFRA ERN1 3233/4885GPR35 488/4885TDP1 3212/4885

“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.