SCHEMBL1061002

SCHEMBL1061002

COc1cc(NCc2ccc(C=CC(=O)Nc3cccc(N)c3N)cc2)cc(OC)c1OC

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.86
HDAC4 P56524 2/20 0.54
MEF2D Q14814 1/20 0.54
HDAC3 O15379 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
TUBA1C Q9BQE3 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
SCHEMBL1060997 1.00 HDAC1 (0.86) HDAC1HDAC4MEF2DHDAC3TUBB4A
SCHEMBL8349378 1.00 HDAC1 (0.86) HDAC1HDAC4MEF2DHDAC3TUBB4A
SCHEMBL8293110 0.92 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC3TUBB4A
SCHEMBL1064005 0.92 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC3TUBB4A
SCHEMBL1064008 0.92 HDAC1 (1.00) HDAC1HDAC4MEF2DHDAC3TUBB4A
SCHEMBL1063735 0.92 HDAC1 (0.78) HDAC1HDAC4MEF2D
SCHEMBL8349424 0.92 HDAC1 (0.78) HDAC1HDAC4MEF2D
SCHEMBL1063731 0.92 HDAC1 (0.78) HDAC1HDAC4MEF2D
SCHEMBL8347895 0.89 HDAC1 (0.68) HDAC1HDAC4MEF2DHDAC3TUBB4A
SCHEMBL12934285 0.86 HDAC1 (0.86) HDAC1HDAC4MEF2DHDAC3TUBB4A

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 5 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

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.