SCHEMBL30794868

SCHEMBL30794868

O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)Nn1nc(-c2ccc(F)cc2)c2ccccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.40
MCHR1 Q99705 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RECQL P46063 1/20 0.38
P2RX7 Q99572 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL1791227 1.00 MAPT (0.45) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL1791226 1.00 MAPT (0.45) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL1786940 1.00 MAPT (0.45) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL1786942 1.00 MAPT (0.45) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL1786886 0.90 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2TDP1HPGD
SCHEMBL1787773 0.90 MAPT (0.46) MAPTALDH1A1TDP1TP53POLB
SCHEMBL1787776 0.90 MAPT (0.46) MAPTALDH1A1TDP1TP53POLB
SCHEMBL1786888 0.90 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2TDP1HPGD
SCHEMBL1789439 0.90 KDM4E (0.43) MAPTALDH1A1KDM4ETP53POLB
SCHEMBL1791523 0.90 KDM4E (0.43) MAPTALDH1A1KDM4ETP53POLB

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