SCHEMBL30795202

SCHEMBL30795202

CC(C)c1nc2ccccc2c(=O)n1NC(=O)C(C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 2/20 0.43
PPARG P37231 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
DHODH Q02127 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL4518897 1.00 HTT (0.46) HTTPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL4527601 0.88 KMT2A (0.54) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30796606 0.88 KMT2A (0.54) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4519447 0.87 KMT2A (0.46) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30795242 0.87 KMT2A (0.46) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4526768 0.87 KMT2A (0.46) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4517859 0.87 KMT2A (0.46) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30824681 0.87 KMT2A (0.46) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30795072 0.85 GPR139 (0.47) HTTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4516864 0.85 GPR139 (0.47) HTTCYP1A2CYP3A4CYP2C9CYP2C19

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