SCHEMBL1065292

SCHEMBL1065292

COc1ccc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 1.00
HDAC2 Q92769 6/20 0.76
HDAC3 O15379 5/20 0.76
NCOR2 Q9Y618 2/20 0.76
HDAC4 P56524 2/20 0.74
HDAC7 Q8WUI4 2/20 0.74
HDAC10 Q969S8 2/20 0.74
HDAC11 Q96DB2 2/20 0.74
HDAC8 Q9BY41 2/20 0.74
HDAC6 Q9UBN7 2/20 0.74
HDAC9 Q9UKV0 2/20 0.74
HDAC5 Q9UQL6 2/20 0.74
EPHA2 P29317 1/20 0.67
NCOR1 O75376 1/20 0.67

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
SCHEMBL1066040 1.00 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL1065931 0.97 HDAC1 (0.94) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL1060665 0.90 HDAC1 (0.81) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL1065365 0.90 HDAC1 (0.81) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL209790 0.88 HDAC1 (0.80) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL2415635 0.88 HDAC1 (0.79) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL1065094 0.88 HDAC1 (0.78) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL23746024 0.86 HDAC1 (0.90) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL5226034 0.86 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL8352490 0.86 HDAC1 (0.76) HDAC1HDAC2HDAC3NCOR2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US 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
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US 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 (2 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 1/4885HDAC2 5/4885HDAC3 3/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HDAC3 3/4885

“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.