SCHEMBL29034

SCHEMBL29034

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.54
RORA P35398 7/20 0.52
RORC P51449 7/20 0.52
RORB Q92753 7/20 0.52
ALDH1A1 P00352 3/20 0.51
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
ALOX5 P09917 1/20 0.44
PGR P06401 4/20 0.43
NR1H2 P55055 1/20 0.42

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
SCHEMBL29782 0.89 RORA (0.55) KDM4ELMNARORARORCRORB
SCHEMBL713899 0.85 KDM4E (0.52) KDM4EALDH1A1ALOX5
SCHEMBL27927057 0.79 KDM4E (0.52) KDM4EALDH1A1ALOX5
SCHEMBL715132 0.78 KDM4E (0.51) KDM4EALDH1A1ALOX5
SCHEMBL29667 0.77 POLB (0.50) KDM4ELMNARORARORCRORB
SCHEMBL30795727 0.77 POLB (0.50) KDM4ELMNARORARORCRORB
SCHEMBL28774 0.75 CNR1 (0.42) KDM4EALOX5
SCHEMBL29819 0.74 CNR2 (0.47) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL30795913 0.74 CNR2 (0.47) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL30881953 0.74 ALOX5 (0.47) KDM4ERORCALDH1A1L3MBTL1ALOX5

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 KDM4E 843/4885LMNA 2602/4885RORA 913/4885

“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.