SCHEMBL713416

SCHEMBL713416

COCCn1c(=O)c(C(=O)NCc2cccc(F)c2)c(C)c2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 3/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PDE10A Q9Y233 1/20 0.43
ROCK2 O75116 1/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30795456 1.00 S1PR3 (0.45) S1PR3ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL713660 0.90 L3MBTL1 (0.47) S1PR3ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL30794933 0.90 L3MBTL1 (0.47) S1PR3ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL30796006 0.90 HTT (0.50) S1PR3ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL713994 0.90 HTT (0.50) S1PR3ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL29501 0.88 S1PR3 (0.46) S1PR3ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL30795406 0.88 S1PR3 (0.46) S1PR3ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL713657 0.87 S1PR3 (0.43) S1PR3ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL30794688 0.87 S1PR3 (0.43) S1PR3ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL30794517 0.87 EGLN1 (0.51) S1PR3POLBNPC1RAB9APDE10A

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 8 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
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-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
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 S1PR3 1410/4885ALDH1A1 2622/4885GAA 3760/4885

“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.