SCHEMBL29534

SCHEMBL29534

Cc1c(C(=O)NCc2cccc(F)c2)c(=O)n(C2CCOCC2)c2cc(C(F)(F)F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
GLS O94925 1/20 0.41
CCR1 P32246 2/20 0.40
MAPK1 P28482 1/20 0.40
MLYCD O95822 1/20 0.40
ELANE P08246 2/20 0.39
S1PR3 Q99500 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
PDE10A Q9Y233 1/20 0.38
P2RX7 Q99572 1/20 0.38
PPARG P37231 1/20 0.38
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL30796025 1.00 PDE1A (0.41) PDE1APDE1BPDE1CGLSCCR1
SCHEMBL30795780 0.83 ROCK2 (0.48) GLSCCR1MLYCDS1PR3PDE10A
SCHEMBL715292 0.83 ROCK2 (0.48) GLSCCR1MLYCDS1PR3PDE10A
SCHEMBL30795805 0.81 S1PR3 (0.50) CCR1MLYCDS1PR3LMNAPDE10A
SCHEMBL716049 0.81 S1PR3 (0.50) CCR1MLYCDS1PR3LMNAPDE10A
SCHEMBL28970 0.81 USP2 (0.44) ALDH1A1
SCHEMBL713463 0.81 S1PR3 (0.46) GLSCCR1MLYCDELANES1PR3
SCHEMBL30795505 0.81 S1PR3 (0.46) GLSCCR1MLYCDELANES1PR3
SCHEMBL29002 0.80 S1PR3 (0.45) GLSCCR1MLYCDS1PR3PDE10A
SCHEMBL30795738 0.80 S1PR3 (0.47) GLSCCR1MLYCDS1PR3LMNA

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 12 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 claimed
US-8653102-B2 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US claimed
EP-2609086-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP claimed
US-20120053206-A1 Substituted 2-oxo- and 2-thioxo-dihydroquinoline-3-carboxamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2012-03-01 US claimed
WO-2012025239-A1 SUBSTITUTED 2-OXO- AND 2-THIOXO-DIHYDROQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO 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
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 PDE1A 1801/4885PDE1B 1814/4885PDE1C 2274/4885

“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.