SCHEMBL23433

SCHEMBL23433

CCOc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.46
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MDM2 Q00987 1/20 0.39
EIF4A1 P60842 1/20 0.39
THRB P10828 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL21576 0.89 THRB (0.45) THRBMAOBALDH1A1GAAL3MBTL1
SCHEMBL20614 0.86 DHODH (0.48) DHODHCYP2C19EIF4A1ALDH1A1KDM4E
SCHEMBL20412 0.81 THRB (0.44) THRBMAOBALDH1A1L3MBTL1KDM4E
SCHEMBL30795405 0.81 HPGD (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL23326 0.81 HPGD (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL30795613 0.81 KCNQ3 (0.45) CYP1A2CYP2C9CYP2C19THRBALDH1A1
SCHEMBL21336 0.81 KCNQ3 (0.45) CYP1A2CYP2C9CYP2C19THRBALDH1A1
SCHEMBL20186 0.81 NAMPT (0.40) CYP1A2CYP2C9CYP2C19THRBALDH1A1
SCHEMBL30795512 0.80 NAMPT (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL21615 0.80 NAMPT (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 US disclosed
EP-2609083-B1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP 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-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2012-03-01 US disclosed
WO-2012025236-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 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 (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 DHODH 2566/4885CYP1A2 392/4885CYP2C9 1261/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 DHODH 2566/4885CYP1A2 392/4885CYP2C9 1261/4885

“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.