SCHEMBL30794829

SCHEMBL30794829

COc1ccc(C(C)C(=O)Nn2c(C(C)C)nc3ccccc3c2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2N P61088 1/20 0.54
ALDH1A1 P00352 7/20 0.50
LMNA P02545 5/20 0.50
GPR139 Q6DWJ6 2/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 3/20 0.48
HPGD P15428 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL4518097 1.00 UBE2N (0.54) UBE2NALDH1A1LMNAGPR139RECQL
SCHEMBL4519447 0.90 KMT2A (0.46) UBE2NALDH1A1LMNAGPR139HTT
SCHEMBL4517859 0.90 KMT2A (0.46) UBE2NALDH1A1LMNAGPR139HTT
SCHEMBL30795242 0.90 KMT2A (0.46) UBE2NALDH1A1LMNAGPR139HTT
SCHEMBL4526768 0.90 KMT2A (0.46) UBE2NALDH1A1LMNAGPR139HTT
SCHEMBL30824681 0.90 KMT2A (0.46) UBE2NALDH1A1LMNAGPR139HTT
SCHEMBL30795072 0.88 GPR139 (0.47) ALDH1A1LMNAGPR139HTTMAPT
SCHEMBL4527601 0.88 KMT2A (0.54) ALDH1A1LMNAGPR139HTTMAPT
SCHEMBL30796606 0.88 KMT2A (0.54) ALDH1A1LMNAGPR139HTTMAPT
SCHEMBL4516864 0.88 GPR139 (0.47) ALDH1A1LMNAGPR139HTTMAPT

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