SCHEMBL1067964

SCHEMBL1067964

COc1ccc(NCc2ccc(C(=O)Nc3cc(C#N)ccc3N)cc2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.72
HDAC2 Q92769 8/20 0.72
HIF1A Q16665 1/20 0.54
HPGD P15428 1/20 0.48
HDAC3 O15379 1/20 0.47
NCOR2 Q9Y618 1/20 0.47

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
SCHEMBL1063170 0.89 HDAC1 (0.77) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1067006 0.89 HDAC1 (0.69) HDAC1HDAC2HPGDHDAC3NCOR2
SCHEMBL1068526 0.88 HDAC1 (0.68) HDAC1HDAC2HPGDHDAC3NCOR2
SCHEMBL1066670 0.87 HDAC1 (0.67) HDAC1HDAC2HDAC3NCOR2
SCHEMBL8292244 0.86 HDAC1 (0.77) HDAC1HDAC2HPGDHDAC3NCOR2
SCHEMBL1066696 0.85 HDAC1 (0.76) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1065638 0.84 HDAC1 (0.66) HDAC1HDAC2HDAC3
SCHEMBL1064557 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL12963061 0.83 HDAC1 (0.73) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1066255 0.83 HDAC1 (0.73) HDAC1HDAC2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101445469-B Inhibitors of histone deacetylase METHYLGENE INC 2013-02-13 CN disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
CN-101445469-A Inhibitors of histone deacetylase METHYLGENE INC (CA) 2009-06-03 CN disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
CN-1882529-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2006-12-20 CN disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HIF1A 562/4885

“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.