SCHEMBL715426

SCHEMBL715426

Cc1c(C(=O)O)c(=S)n(C)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.47
DHODH Q02127 3/20 0.41
SRC P12931 1/20 0.39
RORC P51449 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
KMO O15229 1/20 0.36
USP2 O75604 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX5 P09917 1/20 0.35
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35

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
SCHEMBL15473627 0.86 KIF11 (0.49) KIF11DHODHSRCRORCKDM4E
SCHEMBL715132 0.84 KDM4E (0.51) KIF11KDM4EALDH1A1CYP1A2CYP2C19
SCHEMBL30796474 0.78 MEN1 (0.46) ALDH1A1HPGDMEN1KMT2A
SCHEMBL29573 0.78 MEN1 (0.46) ALDH1A1HPGDMEN1KMT2A
SCHEMBL30794812 0.76 ROCK2 (0.48) KIF11MEN1CYP1A2KMT2ACYP2C19
SCHEMBL28973 0.76 ROCK2 (0.48) KIF11MEN1CYP1A2KMT2ACYP2C19
SCHEMBL29782 0.74 RORA (0.55) RORCKDM4EHSD17B10MEN1KMT2A
SCHEMBL4493287 0.73 TACR1 (0.45) KIF11DHODHKDM4EALDH1A1HPGD
SCHEMBL713899 0.73 KDM4E (0.52) KIF11KDM4EALDH1A1HSD17B10MEN1
SCHEMBL21454581 0.71 KIF11 (0.82) KIF11RORCKDM4EALDH1A1HSD17B10

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 KIF11 3873/4885DHODH 761/4885SRC 3503/4885

“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.