SCHEMBL4565757

SCHEMBL4565757

CC(C)(C)OC(=O)NC1CN(CCCC(F)(F)F)c2ccccc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.42
EPHX2 P34913 1/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IDO1 P14902 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
GAA P10253 1/20 0.37
LIPG Q9Y5X9 1/20 0.37

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
SCHEMBL4565756 1.00 SCN9A (0.42) SCN9AEPHX2HDAC2HDAC8HDAC6
SCHEMBL4249468 0.94 SCN9A (0.43) SCN9AEPHX2HDAC2HDAC8HDAC6
SCHEMBL4249463 0.94 SCN9A (0.43) SCN9AEPHX2HDAC2HDAC8HDAC6
SCHEMBL4248819 0.88 SCN9A (0.50) SCN9AEPHX2HDAC2HDAC8HDAC6
SCHEMBL4248814 0.88 SCN9A (0.50) SCN9AEPHX2HDAC2HDAC8HDAC6
SCHEMBL6178932 0.82 SCN9A (0.49) SCN9AEPHX2HDAC2HDAC8HDAC6
SCHEMBL12345855 0.82 SCN9A (0.49) SCN9AEPHX2HDAC2HDAC8HDAC6
SCHEMBL4706300 0.82 EPHX2 (0.48) SCN9AEPHX2HDAC2HDAC8HDAC6
SCHEMBL12345847 0.82 EPHX2 (0.48) SCN9AEPHX2HDAC2HDAC8HDAC6
SCHEMBL4706295 0.82 EPHX2 (0.48) SCN9AEPHX2HDAC2HDAC8HDAC6

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-2069317-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-06-17 EP disclosed
US-7414049-B2 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-08-19 US disclosed
US-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
WO-2008034735-A2 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080103133-A1 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES BACE1, BACE2, PSEN1 SCN9A 1371/4885EPHX2 888/4885HDAC2 533/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.