SCHEMBL30795487

SCHEMBL30795487

CC(C)(C)CC(=O)Nc1cc2c(cc1Br)N(Cc1ccc(Cl)s1)CC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 12/20 0.39
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.36
EPHX2 P34913 1/20 0.36
KCNT1 Q5JUK3 1/20 0.36
KCNQ3 O43525 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3112937 1.00 KCNQ2 (0.39) KCNQ2LMNAGAAALOX5EPHX2
SCHEMBL3101696 0.89 KCNQ2 (0.40) KCNQ2LMNAGAAALOX5EPHX2
SCHEMBL30794764 0.89 KCNQ2 (0.40) KCNQ2LMNAGAAALOX5EPHX2
SCHEMBL3109667 0.86 MAPK1 (0.38) KCNQ2LMNAGAAALDH1A1MAPT
SCHEMBL30814210 0.86 MAPK1 (0.38) KCNQ2LMNAGAAALDH1A1MAPT
SCHEMBL30814227 0.83 ALOX5 (0.50) KCNQ2ALOX5EPHX2KCNT1ALDH1A1
SCHEMBL3094685 0.83 ALOX5 (0.50) KCNQ2ALOX5EPHX2KCNT1ALDH1A1
SCHEMBL30794362 0.80 KCNQ2 (0.46) KCNQ2ALOX5EPHX2KCNT1KCNQ3
SCHEMBL3099402 0.80 KCNQ2 (0.46) KCNQ2ALOX5EPHX2KCNT1KCNQ3
SCHEMBL30794875 0.80 KCNQ2 (0.38) KCNQ2LMNAGAAALDH1A1MAPT

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