SCHEMBL30794875

SCHEMBL30794875

CC(C)(C)CC(=O)Nc1ccc2c(c1Cl)CCN2Cc1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 10/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL3098962 1.00 KCNQ2 (0.38) KCNQ2MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3099418 0.80 KCNQ2 (0.47) KCNQ2MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3094685 0.80 ALOX5 (0.50) KCNQ2MAPTALDH1A1
SCHEMBL30814227 0.80 ALOX5 (0.50) KCNQ2MAPTALDH1A1
SCHEMBL30795959 0.80 KCNQ2 (0.47) KCNQ2MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL30795487 0.80 KCNQ2 (0.39) KCNQ2MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3101696 0.80 KCNQ2 (0.40) KCNQ2MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL30794764 0.80 KCNQ2 (0.40) KCNQ2MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3112937 0.80 KCNQ2 (0.39) KCNQ2MAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3109667 0.78 MAPK1 (0.38) KCNQ2MAPTALDH1A1LMNAGAA

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