SCHEMBL1065134

SCHEMBL1065134

COc1cc(CNCc2ccc(C=CC(=O)Nc3ccccc3N)cc2)cc(OC)c1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.80
HDAC3 O15379 4/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC6 Q9UBN7 3/20 0.63
HDAC2 Q92769 3/20 0.63
HDAC4 P56524 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
TUBB4A P04350 1/20 0.63
TUBB P07437 1/20 0.63
TUBA3C P0DPH7 1/20 0.63
TUBA1B P68363 1/20 0.63
TUBA4A P68366 1/20 0.63
TUBB4B P68371 1/20 0.63
TUBB3 Q13509 1/20 0.63
TUBB2A Q13885 1/20 0.63
TUBB8 Q3ZCM7 1/20 0.63

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
SCHEMBL2732582 1.00 HDAC1 (0.80) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1065131 1.00 HDAC1 (0.80) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1064803 0.90 HDAC1 (0.77) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1064804 0.90 HDAC1 (0.77) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL8350339 0.90 HDAC1 (0.77) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL8293110 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1064008 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL1064005 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL13074217 0.86 HDAC1 (0.61) HDAC1HDAC3HDAC8HDAC7HDAC6
SCHEMBL2734352 0.86 HDAC1 (0.81) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1578663-B Histone deacetylase inhibitors METHYLGENE INC 2011-05-25 CN disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
CN-101851173-A Inhibitors of histone deacetylase METHYLGENE INC 2010-10-06 CN disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
CN-100540547-C Inhibitors of histone deacetylase METHYLGENE INC (CA) 2009-09-16 CN disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
CN-1723207-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2006-01-18 CN disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
CN-1578663-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2005-02-09 CN disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
EP-1429765-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2004-06-23 EP disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (4 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC8 9/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC8 9/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC8 9/4885
US-20040142953-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.