SCHEMBL22337

SCHEMBL22337

COc1nc2cc(Br)ccc2c(C)c1C(=O)NCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
MAPK1 P28482 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PDE10A Q9Y233 1/20 0.42
MAPT P10636 1/20 0.42
MMP13 P45452 1/20 0.41
MAOB P27338 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
CHRM4 P08173 1/20 0.40
PTGFR P43088 3/20 0.40
POLB P06746 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40

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
SCHEMBL30795312 1.00 KCNQ3 (0.46) KCNQ3KCNQ2MAPK1TP53LMNA
SCHEMBL30794662 0.92 KCNQ3 (0.51) KCNQ3KCNQ2MAPK1TP53PDE10A
SCHEMBL21543 0.92 KCNQ3 (0.51) KCNQ3KCNQ2MAPK1TP53PDE10A
SCHEMBL30795220 0.91 S1PR3 (0.42) LMNAHPGDPDE10AMAPTMAOB
SCHEMBL22027 0.91 S1PR3 (0.42) LMNAHPGDPDE10AMAPTMAOB
SCHEMBL15478170 0.90 KCNQ3 (0.47) KCNQ3KCNQ2MAPK1TP53LMNA
SCHEMBL23080 0.89 KCNQ3 (0.58) KCNQ3KCNQ2TP53LMNAMAPT
SCHEMBL30796160 0.89 KCNQ3 (0.58) KCNQ3KCNQ2TP53LMNAMAPT
SCHEMBL23281 0.88 KCNQ3 (0.48) KCNQ3KCNQ2MAPK1TP53PDE10A
SCHEMBL30795638 0.88 KCNQ3 (0.48) KCNQ3KCNQ2MAPK1TP53PDE10A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609083-B1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP claimed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US claimed
US-8653101-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US claimed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP claimed
WO-2012025236-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO claimed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal 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
US-9073862-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-07-07 US disclosed
EP-2609083-B1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2015-02-25 EP disclosed
US-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2014-03-20 US disclosed
US-8653101-B2 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2014-02-18 US disclosed
EP-2609083-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-07-03 EP disclosed
WO-2012025236-A1 SUBSTITUTED 2-OXY-QUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-03-01 WO disclosed
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators Grünenthal 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 (2 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-20140080867-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 KCNQ3 3/4885KCNQ2 2/4885MAPK1 1945/4885
US-20120053205-A1 Substituted 2-oxy-quinoline-3-carboxamides as KCNQ2/3 modulators KCNQ1, KCNQ2, KCNQ3 KCNQ3 3/4885KCNQ2 2/4885MAPK1 1945/4885

“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.