SCHEMBL1064595

SCHEMBL1064595

COc1cc(OC)c(OC)cc1CNc1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.75
▸ HDAC2 Q92769 6/20 0.72
▸ HDAC3 O15379 3/20 0.59
▸ NCOR2 Q9Y618 1/20 0.59
▸ HDAC4 P56524 2/20 0.57
▸ HDAC7 Q8WUI4 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC9 Q9UKV0 2/20 0.57
▸ HDAC5 Q9UQL6 2/20 0.57
▸ EPHA2 P29317 1/20 0.53

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
SCHEMBL1060645 0.86 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1064455 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL1064557 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL8348769 0.82 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1060665 0.81 HDAC1 (0.81) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL211732 0.80 HDAC1 (0.84) HDAC1HDAC2HDAC3NCOR2
SCHEMBL209459 0.80 HDAC1 (0.84) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1065292 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL1066040 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC4
SCHEMBL1064968 0.79 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6

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 6 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-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-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.

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