SCHEMBL3746067

SCHEMBL3746067

CC(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
S100A4 P26447 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
MAPK1 P28482 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 2/20 0.45
HTT P42858 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GLA P06280 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HCAR3 P49019 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL3491298 0.87 S100A4 (0.42) KDM4ES100A4TRPV1ABCB1ABCC1
SCHEMBL1954939 0.84 KDM4E (0.45) KDM4ES100A4TRPV1ABCB1ABCC1
SCHEMBL12577092 0.83 KDM4E (0.33) KDM4ES100A4TRPV1ABCB1ABCC1
SCHEMBL3083108 0.83 KDM4E (0.47) KDM4ES100A4TRPV1ABCB1ABCC1
SCHEMBL29348886 0.82 KDM4E (0.44) KDM4ES100A4TRPV1ABCB1ABCC1
SCHEMBL14247904 0.82 MAPK1 (0.46) KDM4EABCB1ABCC1MAPK1RAB9A
SCHEMBL31068308 0.82 KDM4E (0.44) KDM4ES100A4TRPV1ABCB1ABCC1
SCHEMBL15257085 0.81 MAPT (0.53) KDM4EMAPK1HTTALDH1A1GAA
SCHEMBL10252732 0.81 TSHR (0.56) MAPK1RAB9ANPC1ALDH1A1GAA
SCHEMBL339294 0.81 HCAR3 (0.58) KDM4ES100A4TRPV1ABCB1ABCC1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635566-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2018-05-16 EP disclosed
EP-2632915-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-08-12 EP disclosed
US-8829200-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-8829200-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-8772304-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
EP-2509975-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2014-04-23 EP disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
US-8420655-B2 Benzimidazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-16 US disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
US-20120277226-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 US disclosed
US-20120277226-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 US disclosed
US-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 US disclosed
WO-2012061169-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 WO disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
US-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 US disclosed
WO-2011068821-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-09 WO disclosed
US-20100292234-A1 TRIAZOLE FUSED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF AMGEN INC. (US) 2010-11-18 US disclosed
WO-2009038784-A1 TRIAZOLE FUSED HETEROARYL COMPOUNDS AS P38 KINASE INHIBITORS AMGEN INC. (US) 2009-03-26 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-20110301161-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 KDM4E 1908/4885S100A4 2427/4885TRPV1 226/4885
US-20100292234-A1 TRIAZOLE FUSED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF MAPK1, MAPK3, CNKSR1 KDM4E 4270/4885S100A4 2391/4885TRPV1 2153/4885
US-20120277226-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S KDM4E 2486/4885S100A4 2894/4885TRPV1 308/4885
US-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 KDM4E 2585/4885S100A4 3059/4885TRPV1 379/4885

“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.