SCHEMBL28774

SCHEMBL28774

CCOC(=O)c1c(C)c2ccc(C(F)(F)F)cc2n(C2CCOCC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
USP2 O75604 3/20 0.40
PKM P14618 1/20 0.40
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 1/20 0.38
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
CCND3 P30281 3/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCND2 P30279 1/20 0.38
CCNA1 P78396 1/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 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
SCHEMBL28970 0.88 USP2 (0.44) CNR1CNR2USP2PKMCDK4
SCHEMBL30608053 0.80 CNR1 (0.40) CNR1CNR2USP2PKMKDM4E
SCHEMBL29091385 0.80 CNR1 (0.40) CNR1CNR2USP2PKMKDM4E
SCHEMBL713899 0.79 KDM4E (0.52) ALOX5KDM4EPOLBHSD17B10GAA
SCHEMBL29534 0.78 PDE1A (0.41) POLBNPSR1THRBMAPK1ELANE
SCHEMBL30796025 0.78 PDE1A (0.41) POLBNPSR1THRBMAPK1ELANE
SCHEMBL29034 0.75 KDM4E (0.54) ALOX5KDM4E
SCHEMBL26122315 0.74 CNR1 (0.40) CNR1CNR2USP2PKMKDM4E
SCHEMBL27927057 0.73 KDM4E (0.52) ALOX5KDM4EPOLBHSD17B10GAA
SCHEMBL715132 0.72 KDM4E (0.51) ALOX5KDM4EPOLBNPSR1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609086-B1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP disclosed
US-8653102-B2 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609086-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
US-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US disclosed
WO-2012025239-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-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 (1 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-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 CNR1 163/4885CNR2 111/4885USP2 3261/4885

“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.