SCHEMBL30795181

SCHEMBL30795181

CCOC(=O)Nc1ccc(NCc2ccc(Cl)s2)cc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 6/20 0.62
KCNQ3 O43525 5/20 0.62
KCNQ4 P56696 2/20 0.62
KCNQ5 Q9NR82 2/20 0.62
FFAR1 O14842 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC3 O15379 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL3101974 1.00 KCNQ2 (0.62) KCNQ2KCNQ3KCNQ4KCNQ5FFAR1
SCHEMBL2069986 0.89 KCNQ3 (0.47) KCNQ2KCNQ3KCNQ4KCNQ5FFAR1
SCHEMBL30795429 0.89 KCNQ3 (0.47) KCNQ2KCNQ3KCNQ4KCNQ5FFAR1
SCHEMBL30795017 0.89 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL3102226 0.89 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL2070740 0.89 SMN1; SMN2 (0.53) KCNQ2KCNQ3KCNQ4KCNQ5FFAR1
SCHEMBL3109793 0.89 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL30795622 0.89 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
Hydrochloric Acid SCHEMBL4995253 0.88 KCNQ2 (0.63) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2
SCHEMBL20133969 0.87 KCNQ2 (0.62) KCNQ2KCNQ3KCNQ4KCNQ5CYP1A2

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