SCHEMBL2235336

SCHEMBL2235336

Cc1cccc(NC(=O)C2CC2c2ccccc2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
HDAC4 P56524 1/20 0.55
NPC1 O15118 1/20 0.55
DEGS1 O15121 1/20 0.55
ALDH1A1 P00352 3/20 0.54
NAMPT P43490 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.52
ROCK2 O75116 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL12218306 0.86 NPC1 (0.53) HTTHDAC4NPC1DEGS1ALDH1A1
SCHEMBL14367237 0.80 DEGS1 (0.64) HTTHDAC4NPC1DEGS1ALDH1A1
SCHEMBL12431142 0.76 DEGS1 (0.59) HTTHDAC4NPC1DEGS1ALDH1A1
SCHEMBL15706299 0.76 DEGS1 (0.82) HTTHDAC4NPC1DEGS1ALDH1A1
SCHEMBL14014144 0.75 DEGS1 (0.76) HTTHDAC4NPC1DEGS1ALDH1A1
SCHEMBL2233174 0.75 DEGS1 (0.76) HTTHDAC4NPC1DEGS1ALDH1A1
SCHEMBL30794981 0.74 HDAC4 (0.57) HTTHDAC4NPC1DEGS1ALDH1A1
SCHEMBL6339509 0.74 HDAC4 (0.71) HTTHDAC4DEGS1ALDH1A1NAMPT
SCHEMBL16639029 0.74 HDAC4 (0.71) HTTHDAC4DEGS1ALDH1A1NAMPT
SCHEMBL3380172 0.73 POLB (0.60) HTTHDAC4NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011085351-A2 METHOD OF TREATING KCNQ RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 WO claimed
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-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS 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
WO-2011085351-A2 METHOD OF TREATING KCNQ RELATED DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-14 WO disclosed