SCHEMBL1066664

SCHEMBL1066664

Nc1ccccc1NC(=O)c1ccc(CNc2nc(N3CCCCC3)nc(N3CCCC3)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.75
HDAC3 O15379 2/20 0.58
HDAC2 Q92769 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
ADORA2A P29274 1/20 0.54
PIK3CA P42336 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
SCHEMBL1065895 1.00 HDAC1 (0.75) HDAC1HDAC3HDAC2NCOR2ADORA2A
SCHEMBL1065072 0.96 HDAC1 (0.82) HDAC1HDAC3HDAC2NCOR2ADORA2A
SCHEMBL1081542 0.86 HDAC1 (0.82) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1060063 0.86 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2PIK3CA
SCHEMBL12934172 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2ADORA2A
SCHEMBL1083399 0.83 HDAC1 (0.57) HDAC1HDAC3HDAC2NCOR2
SCHEMBL211201 0.82 HDAC1 (0.69) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1063736 0.81 HDAC1 (0.87) HDAC1HDAC3HDAC2NCOR2
SCHEMBL1064624 0.81 HDAC1 (0.61) HDAC1HDAC3HDAC2NCOR2PIK3CA
SCHEMBL28378903 0.80 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US claimed
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 1/4885HDAC3 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.