SCHEMBL30795495

SCHEMBL30795495

O=C(Cc1cc(F)cc(F)c1)Nn1nc(-c2cccc(Cl)c2)c2ccccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
TRPV1 Q8NER1 2/20 0.45
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 2/20 0.39
MCHR1 Q99705 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CNR1 P21554 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
SCHEMBL1787893 1.00 PARP1 (0.46) PARP1TRPV1MAPTALDH1A1PPARG
SCHEMBL1789074 0.90 LMNA (0.47) MAPTALDH1A1NPSR1LMNACYP1A2
SCHEMBL30794712 0.90 LMNA (0.47) MAPTALDH1A1NPSR1LMNACYP1A2
SCHEMBL30796353 0.90 MAPT (0.50) PARP1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL1787537 0.90 MAPT (0.50) PARP1MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL30794907 0.89 ALDH1A1 (0.52) PARP1TRPV1MAPTALDH1A1PPARG
SCHEMBL1789344 0.89 ALDH1A1 (0.52) PARP1TRPV1MAPTALDH1A1PPARG
SCHEMBL30795077 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL1785673 0.86 MAPT (0.49) MAPTALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL1787316 0.84 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2NPSR1LMNACYP1A2

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