SCHEMBL713660

SCHEMBL713660

COCCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(C)c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.43
RXFP1 Q9HBX9 3/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 3/20 0.42
S1PR3 Q99500 1/20 0.42
PDE10A Q9Y233 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 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
SCHEMBL30794933 1.00 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL713416 0.90 S1PR3 (0.45) L3MBTL1ALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL30795456 0.90 S1PR3 (0.45) L3MBTL1ALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL28806 0.87 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30795356 0.87 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL713977 0.86 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30794482 0.86 L3MBTL1 (0.45) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30795954 0.86 MEN1 (0.59) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL715344 0.86 MEN1 (0.59) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30796006 0.79 HTT (0.50) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2

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 L3MBTL1 3824/4885MEN1 4185/4885KMT2A 217/4885

“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.