SCHEMBL30656194

SCHEMBL30656194

COc1ncccc1COc1ccc2sc(C)c(C(=O)NC(C)(C)C(N)=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.37
ROCK2 O75116 6/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
IKBKB O14920 1/20 0.34
PARP10 Q53GL7 3/20 0.33
PARP15 Q460N3 2/20 0.33
BACE1 P56817 1/20 0.33
EDNRA P25101 1/20 0.33
PARP14 Q460N5 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL30656034 0.90 SLC26A4 (0.33) ROCK2L3MBTL1PARP10PARP15BACE1
SCHEMBL30655957 0.87 CD38 (0.38) ROCK2L3MBTL1EDNRATDP1KDM4E
SCHEMBL31350375 0.86 ICAM1 (0.41) SLC13A5ROCK2L3MBTL1IKBKBPARP10
SCHEMBL30656180 0.84 HPGDS (0.37) L3MBTL1HDAC6IKBKBEDNRA
SCHEMBL30656124 0.84 HPGDS (0.37) L3MBTL1HDAC6IKBKBEDNRA
SCHEMBL26792937 0.84 PARP10 (0.45) PARP10PARP15PARP14
SCHEMBL30656221 0.84 PARP10 (0.43) PARP10
SCHEMBL30655951 0.84 EDNRA (0.47) L3MBTL1PARP10EDNRAKDM4EMAPT
SCHEMBL30656105 0.83 CD274 (0.34) ROCK2L3MBTL1HDAC6IKBKBPARP10
SCHEMBL26793645 0.83 CD274 (0.34) ROCK2L3MBTL1HDAC6IKBKBPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP claimed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO claimed
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed