SCHEMBL2597339

SCHEMBL2597339

Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
PKM P14618 1/20 0.72
HGFAC Q04756 1/20 0.63
MEN1 O00255 1/20 0.61
NR1H4 Q96RI1 1/20 0.59
ACHE P22303 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.57
GAA P10253 3/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
PRSS1 P07477 1/20 0.54
ACR P10323 1/20 0.54
ALOX5 P09917 2/20 0.54
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52

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
SCHEMBL295497 1.00 KMT2A (0.72) KMT2APKMHGFACMEN1NR1H4
SCHEMBL5696807 1.00 KMT2A (0.72) KMT2APKMHGFACMEN1NR1H4
SCHEMBL18434657 0.92 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT
SCHEMBL542043 0.92 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT
SCHEMBL10636579 0.92 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT
SCHEMBL4951809 0.92 KMT2A (0.84) KMT2APKMHGFACNR1H4MAPT
SCHEMBL7796532 0.92 HGFAC (0.66) KMT2APKMHGFACMEN1NR1H4
SCHEMBL23918341 0.88 MAOB (0.68) KMT2APKMHGFACMEN1MAPT
SCHEMBL6986709 0.87 KMT2A (0.72) KMT2APKMHGFACMEN1NR1H4
SCHEMBL5345292 0.87 KMT2A (0.72) KMT2APKMHGFACMEN1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017175238-A1 HIGHLY CHEMOSELECTIVE REACTIONS IN PRESENCE OF AROMATIC AMINO GROUPS NEON LABORATORIES LIMITED (IN) 2017-10-12 WO disclosed
EP-2571862-B1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MAN CO LTD (JP) 2014-04-16 EP disclosed
US-8609857-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2013-12-17 US disclosed
US-8436009-B2 Prodrug of triazolone compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-05-07 US disclosed
EP-2571862-A1 PRODRUG OF TRIAZOLONE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-03-27 EP disclosed
US-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-02-28 US disclosed
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-06 US disclosed
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2012-09-06 US disclosed
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 US disclosed
US-8207353-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2012-06-26 US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 US disclosed
US-7560588-B2 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES, INC. (US) 2009-07-14 US disclosed
US-20080286497-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DEVICE, REFLECTIVE DISPLAY MATERIAL, AND LIGHT MODULATING MATERIAL FUJIFILM CORPORATION (JP) 2008-11-20 US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 US disclosed
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups INTEZYNE TECHNOLOGIES (US) 2008-08-28 US disclosed
WO-2007127473-A2 POLY (ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS INTEZYNE TECHNOLOGIES, INC. (US) 2007-11-08 WO disclosed
US-6593355-B2 2-phenylaminomethyl benzimidazole derivatives BOEHRINGER INGELEHIM PHARMA KG (DE) 2003-07-15 US disclosed
US-20030004356-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-02 US disclosed
US-6451832-B2 E.G., 2-(AMINDINOPHENYLAMINOMETHYL)-1-METHYL-5-(1-(ETHOXY-CARBONYL-METHYLAMINO)-1 -(2,5-DIHYDROPYRROLOCARBONYL)-ETHYL)BENZIMIDAZOLE; ANTICOAGULANTS AND ANTITHROMBOLYTIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-17 US disclosed
US-20010006977-A1 Benzimidazoles with antithrombotic activity BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2001-07-05 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 (5 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-20130053563-A1 PRODRUG OF TRIAZOLONE COMPOUND F7, TFPI, TFPI2 KMT2A 2484/4885PKM 1042/4885HGFAC 640/4885
US-20030004356-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 KMT2A 2154/4885PKM 958/4885HGFAC 2340/4885
US-20120226050-A1 POLY(ETHYLENE GLYCOL) CONTAINING CHEMICALLY DISPARATE ENDGROUPS GNE, EPRS1, ALG1 KMT2A 3924/4885PKM 3080/4885HGFAC 1423/4885
US-20080207913-A1 Poly(ethylene glycol) containing chemically disparate endgroups GNE, EPRS1, ALG1 KMT2A 3924/4885PKM 3080/4885HGFAC 1423/4885
US-20010006977-A1 Benzimidazoles with antithrombotic activity SERPINC1, SERPINB1, PF4 KMT2A 2154/4885PKM 958/4885HGFAC 2340/4885

“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.