SCHEMBL715132

SCHEMBL715132

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALOX5 P09917 4/20 0.49
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL713899 0.87 KDM4E (0.52) KDM4EALOX5KIF11ALDH1A1POLB
SCHEMBL715426 0.84 KIF11 (0.47) KDM4EALOX5KIF11ALDH1A1CYP1A2
SCHEMBL27927057 0.82 KDM4E (0.52) KDM4EALOX5KIF11ALDH1A1POLB
SCHEMBL30881976 0.80 KDM4E (0.47) KDM4EALOX5ALDH1A1NPSR1THRB
SCHEMBL29034 0.78 KDM4E (0.54) KDM4EALOX5ALDH1A1
SCHEMBL30881953 0.77 ALOX5 (0.47) KDM4EALOX5ALDH1A1NPSR1THRB
SCHEMBL30796474 0.76 MEN1 (0.46) ALDH1A1POLBGAANPSR1
SCHEMBL29573 0.76 MEN1 (0.46) ALDH1A1POLBGAANPSR1
SCHEMBL12095561 0.74 ALOX5 (0.41) KDM4EALOX5ALDH1A1THRB
SCHEMBL15473627 0.74 KIF11 (0.49) KDM4EKIF11ALDH1A1CYP1A2CYP2C9

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 3 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
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 843/4885ALOX5 1956/4885KIF11 3873/4885

“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.