SCHEMBL20087

SCHEMBL20087

O=C(O)c1cc2ccccc2nc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.49
IKBKB O14920 1/20 0.46
GFER P55789 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
DHODH Q02127 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MGAM O43451 2/20 0.44
IDO1 P14902 1/20 0.43
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRIK1 P39086 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
PABPC1 P11940 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL29076982 0.86 GAA (0.51) PPARAIKBKBNPC1ALDH1A1GAA
SCHEMBL30106723 0.86 GAA (0.51) PPARAIKBKBNPC1ALDH1A1GAA
SCHEMBL1353000 0.85 IKBKB (0.61) PPARAIKBKBALDH1A1GAACNR2
SCHEMBL22279063 0.85 PPARA (0.48) PPARAIKBKBNPC1ALDH1A1GAA
SCHEMBL3714502 0.80 DHODH (0.42) GFERDHODHALDH1A1GAAKDM4E
SCHEMBL3789886 0.80 DHODH (0.42) GFERDHODHALDH1A1GAAKDM4E
SCHEMBL29077010 0.80 MEN1 (0.65) PPARAGFERRAB9ADHODHALDH1A1
SCHEMBL6784212 0.79 PPARA (0.47) PPARAIKBKBNPC1RAB9AALDH1A1
SCHEMBL29076997 0.78 KDM4E (0.48) PPARAIKBKBNPC1RAB9AALDH1A1
SCHEMBL30106728 0.78 KDM4E (0.48) PPARAIKBKBNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0302525-A2 Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-08 EP claimed
CN-108409653-A 8-(Trifluoromethyl)The synthetic method of quinoline-3-carboxylic acid 苏州康润医药有限公司 2018-08-17 CN disclosed
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 US disclosed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US disclosed
US-8653101-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609085-A1 SUBSTITUTED QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-8445512-B2 Substituted quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-05-21 US disclosed
US-8399673-B2 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-03-19 US disclosed
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators DRUNENTHAL GMBH (DE) 2012-10-04 US disclosed
EP-1974212-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH Vertex Pharmaceuticals Incorporated (US) 2008-10-01 EP disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1363669-A2 METHOD OF USING A CYCLOOXYGENASE-2 INHIBITOR AND SEX STEROIDS AS A COMBINATION THERAPY FOR THE TREATMENT AND PREVENTION OF DISMENORRHEA Pharmacia Corporation (US) 2003-11-26 EP disclosed
EP-1299123-A2 USE OF COX-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF OCULAR COX-2 MEDIATED DISORDERS Pharmacia Corporation (US) 2003-04-09 EP disclosed
WO-2002062391-A2 METHOD OF USING A CYCLOOXYGENASE-2 INHIBITOR AND SEX STEROIDS AS A COMBINATION THERAPY FOR THE TREATMENT AND PREVENTION OF DISMENORRHEA PHARMACIA CORPORATION (US) 2002-08-15 WO disclosed
WO-2002005848-A2 USE OF COX-2 INHIBITORS IN THE TREATMENT AND PREVENTION OF OCULAR COX-2 MEDIATED DISORDERS PHARMACIA CORPORATION (US) 2002-01-24 WO disclosed
EP-0977748-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 2000-02-09 EP disclosed
WO-1998047890-A1 SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-10-29 WO disclosed
EP-0302525-A2 Quinolones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-02-08 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-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 PPARA 2304/4885IKBKB 667/4885GFER 3625/4885
US-20120252841-A1 Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNJ2 PPARA 2031/4885IKBKB 1313/4885GFER 3627/4885

“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.