SCHEMBL715295

SCHEMBL715295

CCCn1c(=O)c(C(=O)NCc2cccc(F)c2)c(C)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 2/20 0.47
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
CCR1 P32246 2/20 0.43
PDE10A Q9Y233 1/20 0.43
POLB P06746 1/20 0.43
ROCK2 O75116 1/20 0.42
MLYCD O95822 1/20 0.41
GLS O94925 1/20 0.41

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
SCHEMBL30795738 1.00 S1PR3 (0.47) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL30795727 0.95 POLB (0.50) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL29667 0.95 POLB (0.50) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL29819 0.94 CNR2 (0.47) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL30795913 0.94 CNR2 (0.47) S1PR3MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL30795875 0.93 S1PR3 (0.45) S1PR3MAPTCCR1PDE10AROCK2
SCHEMBL29002 0.93 S1PR3 (0.45) S1PR3MAPTCCR1PDE10AROCK2
SCHEMBL716049 0.93 S1PR3 (0.50) S1PR3MAPTHTTALDH1A1ALOX12
SCHEMBL30795805 0.93 S1PR3 (0.50) S1PR3MAPTHTTALDH1A1ALOX12
SCHEMBL29501 0.91 S1PR3 (0.46) S1PR3MAPTHTTSMN1; SMN2ALDH1A1

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 1410/4885MAPT 3437/4885HTT 1288/4885

“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.