SCHEMBL29574

SCHEMBL29574

Cc1c(C(=O)NCc2cccc(F)c2)c(=O)[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
BACE1 P56817 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MLYCD O95822 1/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHODH Q02127 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CCR1 P32246 2/20 0.42
GLS O94925 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
SCHEMBL715292 0.80 ROCK2 (0.48) ROCK2BACE1MLYCDTDP1MEN1
SCHEMBL30795780 0.80 ROCK2 (0.48) ROCK2BACE1MLYCDTDP1MEN1
SCHEMBL20313 0.78 MLYCD (0.45) ROCK2MLYCDTDP1DHODHMEN1
SCHEMBL30795805 0.78 S1PR3 (0.50) KDM4EMLYCDCCR1
SCHEMBL716049 0.78 S1PR3 (0.50) KDM4EMLYCDCCR1
SCHEMBL22408 0.78 ALDH1A1 (0.46) MLYCDTDP1MEN1KMT2ACCR1
SCHEMBL713463 0.77 S1PR3 (0.46) ROCK2BACE1MLYCDTDP1MEN1
SCHEMBL30795505 0.77 S1PR3 (0.46) ROCK2BACE1MLYCDTDP1MEN1
SCHEMBL29501 0.77 S1PR3 (0.46) ROCK2KDM4EMLYCDPOLBCCR1
SCHEMBL30795406 0.77 S1PR3 (0.46) ROCK2KDM4EMLYCDPOLBCCR1

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 5 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
EP-2609086-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP 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 ROCK2 4161/4885BACE1 3101/4885KDM4E 843/4885

“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.