SCHEMBL28622

SCHEMBL28622

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ROCK2 O75116 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HIF1A Q16665 2/20 0.48
TP53 P04637 2/20 0.46
PDE10A Q9Y233 1/20 0.46
TSHR P16473 1/20 0.45
S1PR3 Q99500 1/20 0.45
CASP3 P42574 1/20 0.45
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
THRB P10828 1/20 0.44
SCD O00767 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL30795447 1.00 KMT2A (0.54) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30795231 0.92 KMT2A (0.61) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL713993 0.92 KMT2A (0.61) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30794538 0.92 EGLN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL29874 0.92 EGLN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30794517 0.92 EGLN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL29744 0.92 MEN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30795142 0.92 MEN1 (0.51) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL715292 0.90 ROCK2 (0.48) KMT2AMEN1ROCK2NPC1RAB9A
SCHEMBL30795780 0.90 ROCK2 (0.48) KMT2AMEN1ROCK2NPC1RAB9A

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 10 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
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 KMT2A 217/4885MEN1 4185/4885ROCK2 4161/4885

“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.