SCHEMBL4971900

SCHEMBL4971900

COc1cc([C]=O)ccc1NC(=O)c1cc(F)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
RORC P51449 1/20 0.49
PYGL P06737 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
HPGD P15428 1/20 0.46
AVPR2 P30518 2/20 0.44
AVPR1A P37288 2/20 0.44
GRM4 Q14833 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL3134272 0.82 ALDH1A1 (0.58) POLBGAAMAPTRECQLKDM4E
SCHEMBL3135239 0.82 PYGL (0.69) POLBGAAMAPTRECQLKDM4E
SCHEMBL3138705 0.82 PYGL (0.57) POLBGAAMAPTRECQLKDM4E
SCHEMBL13449296 0.81 ALDH1A1 (0.54) POLBGAAMAPTRECQLKDM4E
SCHEMBL8435221 0.81 PYGL (0.58) POLBGAAMAPTRECQLKDM4E
SCHEMBL8242777 0.81 MAPT (0.53) POLBGAAMAPTRECQLKDM4E
SCHEMBL28464698 0.75 CYP1A2 (0.51) GAAMAPTKDM4EALDH1A1KMT2A
SCHEMBL20601617 0.73 PYGL (0.83) KDM4EALDH1A1KMT2ASMN1; SMN2PYGL
SCHEMBL7337275 0.73 HTT (0.58) POLBGAAMAPTKDM4EALDH1A1
SCHEMBL4699957 0.73 PYGL (0.71) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984342-A2 NOVEL SOLID FORMS OF (4R)-1-[4-(2-CHLORO-5-FLUOROBENZOYL)AMINO-3-METHOXYBENZOYL]-1,2,3,5-TETRAHYDRO-SPIRO[4H-1-BENZAZEPINE-4,1'-[2]CYCLOPENTENE]-3'-CARBOXYLIC ACID Janssen Pharmaceutica, N.V. (BE) 2008-10-29 EP claimed
WO-2007084591-A2 NOVEL SOLID FORMS OF (4R)-1-[4-(2-CHLORO-5-FLUOROBENZOYL)AMINO-3-METHOXYBENZOYL]-1,2,3,5-TETRAHYDRO-SPIRO[4H-1-BENZAZEPINE-4,1'-[2]CYCLOPENTENE]-3'-CARBOXYLIC ACID JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-26 WO claimed
EP-1984342-A2 NOVEL SOLID FORMS OF (4R)-1-[4-(2-CHLORO-5-FLUOROBENZOYL)AMINO-3-METHOXYBENZOYL]-1,2,3,5-TETRAHYDRO-SPIRO[4H-1-BENZAZEPINE-4,1'-[2]CYCLOPENTENE]-3'-CARBOXYLIC ACID Janssen Pharmaceutica, N.V. (BE) 2008-10-29 EP disclosed
WO-2007084591-A2 NOVEL SOLID FORMS OF (4R)-1-[4-(2-CHLORO-5-FLUOROBENZOYL)AMINO-3-METHOXYBENZOYL]-1,2,3,5-TETRAHYDRO-SPIRO[4H-1-BENZAZEPINE-4,1'-[2]CYCLOPENTENE]-3'-CARBOXYLIC ACID JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-26 WO disclosed