SCHEMBL1060932

SCHEMBL1060932

COc1ccc(NCc2ccc(/C=C\C(=O)Nc3ccccc3N)cc2)cn1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.74
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
HDAC4 P56524 1/20 0.59
MEF2D Q14814 1/20 0.59

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
SCHEMBL1060934 1.00 HDAC1 (0.74) HDAC1NPC1RAB9AHDAC4MEF2D
SCHEMBL8346346 1.00 HDAC1 (0.74) HDAC1NPC1RAB9AHDAC4MEF2D
SCHEMBL2732586 0.85 HDAC1 (1.00) HDAC1HDAC4MEF2D
SCHEMBL1060851 0.85 HDAC1 (1.00) HDAC1HDAC4MEF2D
SCHEMBL8349161 0.85 HDAC1 (1.00) HDAC1HDAC4MEF2D
SCHEMBL1060849 0.85 HDAC1 (1.00) HDAC1HDAC4MEF2D
SCHEMBL1065146 0.85 HDAC1 (1.00) HDAC1HDAC4MEF2D
SCHEMBL1065148 0.85 HDAC1 (1.00) HDAC1HDAC4MEF2D
SCHEMBL8348094 0.84 HDAC1 (0.85) HDAC1HDAC4MEF2D
SCHEMBL1059679 0.83 HDAC1 (0.71) HDAC1HDAC4MEF2D

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 1/4885NPC1 1197/4885RAB9A 2909/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885NPC1 1197/4885RAB9A 2909/4885

“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.