SCHEMBL512276

SCHEMBL512276

FC(F)(F)c1cccc(-c2cc[c]o2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC9A1 P19634 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CES2 O00748 1/20 0.41
IDO1 P14902 1/20 0.41
PGR P06401 1/20 0.40
TSHR P16473 1/20 0.40
BRD4 O60885 1/20 0.40
SCN2A Q99250 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL5459322 0.84 RXRA (0.37) NOTUMCES2
SCHEMBL5327871 0.78 KIF11 (0.43) NOTUMALDH1A1CYP1A2CYP2C19CYP1A1
SCHEMBL5474340 0.77 NR4A1 (0.44) NOTUMSLC9A1CYP1A2CYP1A1CYP1B1
SCHEMBL1263144 0.74 TSHR (0.58) NOTUMMAPK1ALDH1A1CES2IDO1
SCHEMBL29678302 0.74 TSHR (0.58) NOTUMMAPK1ALDH1A1CES2IDO1
SCHEMBL17028877 0.73 NOTUM (0.45) NOTUMMAPK1GAARAB9AKDM4E
SCHEMBL3677936 0.73 NOTUM (0.45) NOTUMMAPK1GAARAB9AKDM4E
Ammonia Solution, Strong SCHEMBL20472961 0.72 MAOB (0.56) NOTUMMAPK1ALDH1A1CES2IDO1
SCHEMBL402504 0.71 ALDH1A1 (0.52) NOTUMMAPK1GAARAB9AKDM4E
SCHEMBL2204411 0.71 NOTUM (0.43) NOTUMMAPK1GAARAB9ACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
CN-102548983-B Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2014-09-17 CN claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US claimed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
US-8338465-B2 Cyclic carboxylic acid rhodanine derivatives for the treatment and prevention of tuberculosis CORNELL RESEARCH FOUNDATION, INC. (US) 2012-12-25 US claimed
CN-101678319-B New tridentate ligand compounds with imino furan units, method for manufacturing the compounds, and their use in the preparation of catalysts for the homopolymerisation and copolymerisation of ethylen TOTAL PETROCHEMICALS RES FELUY 2012-11-21 CN claimed
US-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US claimed
CN-102548983-A Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-07-04 CN claimed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP claimed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO claimed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP claimed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO claimed
WO-2001070026-A2 2-PHENYLENEDIAMINE DERIVATIVES AS HERBICIDES JOMAA PHARMAKA GMBH (DE) 2001-09-27 WO claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
WO-2001062709-A2 USE OF 2-PHENYLENE DIAMINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS JOMAA PHARMAKA GMBH (DE) 2001-08-30 WO claimed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO claimed
US-6083945-A USEFUL IN TREATING HUMANS OR OTHER MAMMALS WITH CARDIAC ARRHYTHMIA AND/OR CARDIAC FIBRILLATION THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US claimed
US-5691369-A CARDIOVASCULAR DISORDERS THE PROCTOR & GAMBLE COMPANY (US) 1997-11-25 US claimed

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-20120184583-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NOTUM 4356/4885MAPK1 4339/4885GAA 365/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC NOTUM 253/4885MAPK1 4155/4885GAA 14/4885

“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.