SCHEMBL30795229

SCHEMBL30795229

COc1ccc(CNc2ccc(NC(=O)Cc3cc(F)cc(F)c3)c(N3CCCC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 3/20 0.49
SLC2A1 P11166 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CACNA1H O95180 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 3/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1172354 1.00 KCNQ2 (0.49) KCNQ2SLC2A1MAPTALDH1A1CACNA1H
SCHEMBL30796321 0.91 KCNQ2 (0.49) KCNQ2MAPTALDH1A1CACNA1HKDM4E
SCHEMBL1172488 0.91 KCNQ2 (0.49) KCNQ2MAPTALDH1A1CACNA1HKDM4E
SCHEMBL30795578 0.90 CACNA1H (0.40) KCNQ2MAPTALDH1A1CACNA1HMEN1
SCHEMBL1172304 0.90 CACNA1H (0.40) KCNQ2MAPTALDH1A1CACNA1HMEN1
SCHEMBL13810507 0.88 KCNQ2 (0.45) KCNQ2MAPTALDH1A1CACNA1HGAA
SCHEMBL1172549 0.86 KCNQ2 (0.46) KCNQ2MAPTSMN1; SMN2
SCHEMBL30795595 0.86 KCNQ2 (0.46) KCNQ2MAPTSMN1; SMN2
SCHEMBL30796352 0.86 KCNQ2 (0.52) KCNQ2CACNA1HKMT2A
SCHEMBL1172456 0.86 KCNQ2 (0.52) KCNQ2CACNA1HKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
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