SCHEMBL30795405

SCHEMBL30795405

CCOc1nc2cc(C(F)(F)F)ccc2c(C)c1C(=O)NCc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.47
ALDH1A1 P00352 10/20 0.46
KDM4E B2RXH2 8/20 0.46
CYP2C9 P11712 6/20 0.46
CYP2C19 P33261 6/20 0.46
CYP1A2 P05177 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2D6 P10635 3/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.43
TP53 P04637 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
TACR1 P25103 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL23326 1.00 HPGD (0.47) HPGDALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL30795613 0.93 KCNQ3 (0.45) HPGDALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL21336 0.93 KCNQ3 (0.45) HPGDALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL30824651 0.90 KCNQ3 (0.47) HPGDALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL20754 0.90 KCNQ3 (0.47) HPGDALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL22517 0.90 DDT (0.46) HPGDALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL30794751 0.90 DDT (0.46) HPGDALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL19776 0.89 ALDH1A1 (0.41) HPGDALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL30794567 0.89 ALDH1A1 (0.41) HPGDALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL30795963 0.89 MMP13 (0.46) HPGDALDH1A1KDM4ECYP2C9CYP2C19

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