SCHEMBL6535580

SCHEMBL6535580

Cc1c(-c2ccccc2)cc[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
PARP1 P09874 2/20 0.46
ALDH1A1 P00352 3/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GALR3 O60755 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
BRD4 O60885 2/20 0.42
NOTUM Q6P988 1/20 0.42
PADI4 Q9UM07 2/20 0.42
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL18628562 0.96 MAPT (0.58) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3976914 0.78 MAPT (0.63) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL21223184 0.76 MAPT (0.61) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL27739470 0.76 MAPT (1.00) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL6535945 0.76 MAPT (0.56) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL19952897 0.74 MAPT (0.54) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL27458026 0.74 MAPT (0.50) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL1126942 0.74 MAPT (0.48) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL27792914 0.73 PARP1 (0.56) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL4428264 0.73 MAPT (0.58) MAPTPDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP disclosed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP disclosed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO disclosed