SCHEMBL1063181

SCHEMBL1063181

Nc1ccccc1NC(=O)c1ccc(CNc2ccc(OCc3cccnc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.67
HDAC3 O15379 5/20 0.67
HDAC2 Q92769 5/20 0.67
NCOR2 Q9Y618 3/20 0.67
HDAC11 Q96DB2 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
HDAC6 Q9UBN7 3/20 0.67
CYP3A4 P08684 2/20 0.67
HDAC4 P56524 2/20 0.67
HDAC7 Q8WUI4 2/20 0.67
HDAC10 Q969S8 2/20 0.67
HDAC9 Q9UKV0 2/20 0.67
HDAC5 Q9UQL6 2/20 0.67
KDM1A O60341 1/20 0.67
F3 P13726 1/20 0.67
NAMPT P43490 2/20 0.62
NCOR1 O75376 1/20 0.60

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
SCHEMBL1079424 0.85 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2HDAC11
SCHEMBL13390244 0.84 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2HDAC11
SCHEMBL210812 0.84 HDAC1 (0.79) HDAC1HDAC3HDAC2NCOR2HDAC11
SCHEMBL209898 0.83 HDAC1 (0.81) HDAC1HDAC3HDAC2NCOR2HDAC11
SCHEMBL6939735 0.82 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2HDAC11
SCHEMBL13266204 0.82 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2HDAC11
Entinostat SCHEMBL29387345 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2HDAC11
Entinostat SCHEMBL29838042 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2HDAC11
Entinostat SCHEMBL148309 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2HDAC11
Entinostat SCHEMBL29499905 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2HDAC11

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 15 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
EP-1590340-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-04-07 EP 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
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO 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 (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 1/4885HDAC3 3/4885HDAC2 5/4885
US-20060058298-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.