SCHEMBL1064940

SCHEMBL1064940

Nc1ccccc1NC(=O)C=Cc1ccc(CNc2ccc(Br)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.83
HDAC4 P56524 5/20 0.65
MEF2D Q14814 4/20 0.65
EP300 Q09472 2/20 0.65
HDAC3 O15379 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
KDM1A O60341 1/20 0.57
MAOA P21397 1/20 0.57

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
SCHEMBL8349389 1.00 HDAC1 (0.83) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL3565983 1.00 HDAC1 (0.83) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1065916 0.91 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL8348764 0.91 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1065917 0.91 HDAC1 (1.00) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL12963524 0.90 HDAC1 (0.85) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1063547 0.89 HDAC1 (0.83) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL1065907 0.89 HDAC1 (0.83) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL8348922 0.89 HDAC1 (0.87) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL8349170 0.89 HDAC1 (0.83) HDAC1HDAC4MEF2DEP300HDAC3

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 1/4885HDAC4 8/4885MEF2D 1367/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC4 8/4885MEF2D 1367/4885

“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.