SCHEMBL2443092

SCHEMBL2443092

O=C(O)c1cccc([N+](=O)[O-])c1Nc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
CXCR2 P25025 1/20 0.48
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 3/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
GBA1 P04062 1/20 0.44
ASPH Q12797 1/20 0.44
KDM8 Q8N371 1/20 0.44
MAPT P10636 4/20 0.44
HSP90AA1 P07900 1/20 0.44
GFER P55789 1/20 0.44
CDK2 P24941 1/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL2293244 0.88 CXCR2 (0.59) TSHRMEN1KMT2ACXCR2POLB
SCHEMBL16737201 0.86 TSHR (0.50) TSHRMEN1KMT2ACXCR2POLB
SCHEMBL16737117 0.86 MAPT (0.51) TSHRMEN1KMT2ACXCR2POLB
SCHEMBL12086509 0.86 TSHR (0.50) TSHRMEN1KMT2ACXCR2POLB
SCHEMBL16862346 0.83 KMT2A (0.56) TSHRMEN1KMT2ACXCR2POLB
SCHEMBL16862294 0.83 MAPT (0.56) TSHRMEN1KMT2AMAPK1RAB9A
SCHEMBL16862389 0.82 KDM4E (0.46) TSHRMEN1KMT2APOLBKDM4E
SCHEMBL26980935 0.80 MEN1 (0.44) MEN1KMT2APOLBKDM4EMAPK1
SCHEMBL16737172 0.80 POLB (0.67) TSHRMEN1KMT2ACXCR2POLB
SCHEMBL22720165 0.78 KDM4E (0.60) TSHRMEN1KMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US disclosed
US-9856225-B2 Substituted phenazines as antimicrobial agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-01-02 US disclosed
US-20160355487-A1 PHENAZINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-12-08 US disclosed
US-20160355487-A1 PHENAZINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-12-08 US disclosed
US-20160355487-A1 PHENAZINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-12-08 US disclosed
EP-3086791-A2 PHENAZINE DERIVATIVES AS ANTIMICROBIAL AGENTS University of Florida Research Foundation, Inc. (US) 2016-11-02 EP disclosed
WO-2015100331-A2 PHENAZINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-07-02 WO disclosed
WO-2015100331-A2 PHENAZINE DERIVATIVES AS ANTIMICROBIAL AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-07-02 WO disclosed
EP-2046789-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INST NAT SANTE RECH MED (FR) 2012-09-05 EP disclosed
EP-2363399-A1 Labelled analogues of halobenzamides as radiopharmaceuticals INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-09-07 EP disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
US-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2010-03-11 US disclosed
EP-2046789-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-04-15 EP disclosed
WO-2008012782-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-31 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 (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-20100061928-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS RADIOPHARMACEUTICALS HRH3, H1-3, HRH4 TSHR 28/4885MEN1 118/4885KMT2A 932/4885
US-20160355487-A1 PHENAZINE DERIVATIVES AS ANTIMICROBIAL AGENTS ROS1, NOX4, NOX5 TSHR 3298/4885MEN1 4486/4885KMT2A 3242/4885

“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.