SCHEMBL29782

SCHEMBL29782

CCCCn1c(=O)c(C(=O)O)c(C)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORA P35398 10/20 0.55
RORC P51449 10/20 0.55
RORB Q92753 10/20 0.55
PGR P06401 9/20 0.46
NR1H2 P55055 1/20 0.45
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
KMO O15229 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
SCHEMBL29034 0.89 KDM4E (0.54) RORARORCRORBPGRNR1H2
SCHEMBL15473627 0.81 KIF11 (0.49) RORARORCRORBPGRKDM4E
SCHEMBL29667 0.80 POLB (0.50) RORARORCRORBKDM4ELMNA
SCHEMBL30795727 0.80 POLB (0.50) RORARORCRORBKDM4ELMNA
SCHEMBL30795913 0.77 CNR2 (0.47) KDM4ELMNASMN1; SMN2POLB
SCHEMBL29819 0.77 CNR2 (0.47) KDM4ELMNASMN1; SMN2POLB
SCHEMBL29431171 0.76 RORA (0.54) RORARORCRORBPGRNR1H2
SCHEMBL21915049 0.76 RORA (0.54) RORARORCRORBPGRNR1H2
SCHEMBL15473646 0.74 RORA (0.47) RORARORCRORBPGRNR1H2
SCHEMBL715426 0.74 KIF11 (0.47) RORCKDM4EHSD17B10MEN1KMT2A

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
CN-103189357-B Substituted 2-oxo-and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2015-11-25 CN disclosed
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
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
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 RORA 913/4885RORC 903/4885RORB 1019/4885

“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.