SCHEMBL4579371

SCHEMBL4579371

COc1cc(-c2ccc(C=CC(=O)Nc3cc(-c4cccs4)ccc3N)cn2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.61
HDAC3 O15379 9/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC2 Q92769 12/20 0.51
HDAC4 P56524 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
TNFRSF1A P19438 1/20 0.51

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
SCHEMBL4579367 1.00 HDAC1 (0.61) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL4579403 0.93 HDAC1 (0.62) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL4579408 0.93 HDAC1 (0.62) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL4577950 0.84 HDAC1 (0.59) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL4577956 0.84 HDAC1 (0.59) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1067647 0.83 HDAC1 (0.71) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1067648 0.83 HDAC1 (0.71) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1068370 0.83 HDAC1 (0.71) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1067186 0.82 HDAC1 (0.71) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1067190 0.82 HDAC1 (0.71) HDAC1HDAC3HDAC8HDAC7HDAC6

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-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC8 9/4885

“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.