SCHEMBL4582004

SCHEMBL4582004

Nc1ccc(-c2cccs2)cc1NC(=O)c1cccc(NC(=O)OCc2cccnc2)c1

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.79
HDAC3 O15379 9/20 0.79
HDAC2 Q92769 8/20 0.79
HDAC8 Q9BY41 1/20 0.74
KCNH2 Q12809 1/20 0.56

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
SCHEMBL4580081 0.92 HDAC1 (0.82) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL30118374 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8
SCHEMBL13833519 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8
SCHEMBL1066960 0.85 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL4669104 0.82 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL2684365 0.82 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL14781038 0.82 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL2684970 0.82 HDAC1 (0.74) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL5547973 0.82 HDAC1 (0.73) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL5547574 0.82 HDAC1 (0.71) HDAC1HDAC3HDAC2HDAC8KCNH2

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 8 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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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
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 3/4885HDAC2 5/4885

“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.