SCHEMBL713899

SCHEMBL713899

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.50
ALOX5 P09917 3/20 0.50
KIF11 P52732 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 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
SCHEMBL27927057 0.91 KDM4E (0.52) KDM4EALDH1A1ALOX5KIF11POLB
SCHEMBL715132 0.87 KDM4E (0.51) KDM4EALDH1A1ALOX5KIF11POLB
SCHEMBL29034 0.85 KDM4E (0.54) KDM4EALDH1A1ALOX5
SCHEMBL15473627 0.85 KIF11 (0.49) KDM4EALDH1A1KIF11MEN1KMT2A
SCHEMBL30881976 0.81 KDM4E (0.47) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL28774 0.79 CNR1 (0.42) KDM4EALOX5POLBHSD17B10GAA
SCHEMBL30881953 0.78 ALOX5 (0.47) KDM4EALDH1A1ALOX5MEN1KMT2A
SCHEMBL13450536 0.78 ALDH1A1 (0.78) KDM4EALDH1A1POLBMEN1PABPC1
SCHEMBL29053 0.75 RAF1 (0.43) KDM4EKIF11
SCHEMBL30795584 0.75 MEN1 (0.57) ALDH1A1POLBMEN1KMT2ANPC1

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 4 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
CN-103189357-A Substituted 2-oxo-and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH 2013-07-03 CN 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

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 KDM4E 843/4885ALDH1A1 2622/4885ALOX5 1956/4885

“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.