SCHEMBL8204232

SCHEMBL8204232

COC(=O)c1ccccc1Oc1ccc(C(F)(F)F)cc1N=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
LMNA P02545 2/20 0.43
ESRRA P11474 1/20 0.43
CCR1 P32246 1/20 0.43
CCR2 P41597 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
SCN8A Q9UQD0 2/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
POLB P06746 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9120657 0.87 ESRRA (0.43) CFTRMAPTTDP1MRGPRX4LMNA
SCHEMBL16302025 0.85 SCN8A (0.53) CFTRMAPTTDP1MRGPRX4SCN8A
SCHEMBL1365182 0.82 CFTR (0.64) CFTRMAPTTDP1MRGPRX4LMNA
SCHEMBL18356892 0.82 HTT (0.53) MAPTLMNANPSR1ALDH1A1SMN1; SMN2
SCHEMBL13189341 0.80 CFTR (0.63) CFTRMAPTMRGPRX4LMNAALDH1A1
SCHEMBL1365207 0.79 MAPT (0.71) CFTRMAPTTDP1LMNAPOLB
SCHEMBL31098226 0.78 CFTR (0.60) CFTRMAPTTDP1MRGPRX4ESRRA
SCHEMBL9122911 0.76 CCR1 (0.48) CFTRMAPTTDP1MRGPRX4LMNA
SCHEMBL9119563 0.76 RXFP1 (0.49) CFTRMAPTTDP1MRGPRX4LMNA
SCHEMBL9118380 0.75 GRIK1 (0.47) MAPTTDP1LMNACCR1CCR2

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-2343286-B1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase METHYLGENE INC (CA) 2014-12-31 EP disclosed
EP-2489657-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2012-08-22 EP disclosed
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed
WO-2009137499-A1 INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 WO disclosed