SCHEMBL171243

SCHEMBL171243

O=CNc1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.54
UNG P13051 1/20 0.53
AKR1C3 P42330 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RHOA P61586 1/20 0.53
KDM5A P29375 2/20 0.51
NPC1 O15118 1/20 0.51
AKR1C2 P52895 1/20 0.50
HPSE Q9Y251 1/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL16433567 0.85 RAB9A (0.52) RAB9AUNGAKR1C3MEN1KMT2A
SCHEMBL8689035 0.83 PARP1 (0.55) MEN1KMT2A
SCHEMBL11041250 0.83 ALDH1A1 (0.47) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL3901564 0.83 KMT2A (0.60) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL4429931 0.81 TRIM24 (0.59) RAB9AALDH1A1MEN1KMT2AKDM5A
SCHEMBL2445253 0.80 RAB9A (0.59) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL11737816 0.79 KDM5A (0.48) ALDH1A1MEN1KMT2AKDM5APKM
SCHEMBL3690241 0.79 KDM5A (0.48) ALDH1A1AKR1C3MEN1KMT2AKDM5A
SCHEMBL7410095 0.79 PRSS1 (0.49) ALDH1A1
SCHEMBL6777725 0.79 RAB9A (0.50) RAB9AALDH1A1AKR1C3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
EP-2426131-A1 INTERMEDIATES OF CARBAPENEM, COMPOSITIONS CONTAINING THEM AND PREPARATION METHODS THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2012-03-07 EP disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-1342719-B1 Benzodiazepine derivatives useful as CCK-Receptor Antagonists FERRING BV (NL) 2011-04-13 EP disclosed
US-5688943-A CHOLECYSTOKININ ANTAGONIST; ANTIULCER AGENTS; PSYCHOLOGICAL DRUGS; ANXIOLYTIC AGENTS; CONTROLLING APPETITE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-18 US disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
EP-0715624-A1 PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-06-12 EP disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0647632-A1 NOVEL BENZODIAZEPINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-04-12 EP disclosed
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 WO disclosed
EP-0628033-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-12-14 EP disclosed
WO-1993016999-A1 BENZODIAZEPIN DERIVATIVES USEFUL AS CCK-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-09-02 WO disclosed
CN-1075717-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-09-01 CN disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO RAB9A 2721/4885ALDH1A1 289/4885UNG 309/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H RAB9A 3868/4885ALDH1A1 557/4885UNG 2211/4885

“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.