SCHEMBL6535945

SCHEMBL6535945

CCc1c(-c2ccccc2)cc[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
PARP1 P09874 2/20 0.42
ALDH1A1 P00352 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
BRD4 O60885 2/20 0.40
PADI4 Q9UM07 2/20 0.39
NOTUM Q6P988 1/20 0.39
JAK2 O60674 1/20 0.39
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GALR3 O60755 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KDM5B Q9UGL1 1/20 0.36

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
SCHEMBL27458026 0.83 MAPT (0.50) MAPTPARP1ALDH1A1PDE4APDE4B
SCHEMBL3976914 0.77 MAPT (0.63) MAPTPARP1ALDH1A1PDE4APDE4B
SCHEMBL21223184 0.76 MAPT (0.61) MAPTPARP1ALDH1A1PDE4APDE4B
SCHEMBL6535580 0.76 MAPT (0.61) MAPTPARP1ALDH1A1PDE4APDE4B
SCHEMBL4428264 0.73 MAPT (0.58) MAPTPARP1ALDH1A1PDE4APDE4B
SCHEMBL18628562 0.73 MAPT (0.58) MAPTPARP1ALDH1A1PDE4APDE4B
SCHEMBL12473710 0.72 HTR1A (0.38) MAPTPARP1ALDH1A1JAK2L3MBTL1
SCHEMBL9806251 0.72 PDCD1 (0.47) ALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL27739470 0.72 MAPT (1.00) MAPTPARP1ALDH1A1PDE4APDE4B
SCHEMBL10110509 0.71 NOS3 (0.35) PARP1ALDH1A1PDE3BPDE3ABRD4

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 6 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 claimed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP claimed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO claimed
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