SCHEMBL1064879

SCHEMBL1064879

COc1ccc(NCc2ccc(C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)cc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.73
HDAC2 Q92769 7/20 0.73
NR1H4 Q96RI1 1/20 0.54
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL12933547 0.84 HDAC1 (0.80) HDAC1HDAC2NR1H4
SCHEMBL1079414 0.84 HDAC1 (1.00) HDAC1HDAC2NR1H4
SCHEMBL1067926 0.83 HDAC1 (0.80) HDAC1HDAC2NR1H4
SCHEMBL1064557 0.83 HDAC1 (1.00) HDAC1HDAC2
SCHEMBL4533322 0.80 ALDH1A1 (0.52) HDAC1HDAC2NR1H4MAPTNPSR1
SCHEMBL2474525 0.80 HDAC1 (0.51) HDAC1HDAC2NR1H4MAPT
SCHEMBL2503525 0.80 NR1H4 (0.48) HDAC1HDAC2NR1H4MAPT
SCHEMBL30091837 0.80 HDAC1 (0.62) HDAC1HDAC2
SCHEMBL2734093 0.79 HDAC1 (0.68) HDAC1HDAC2
SCHEMBL2499264 0.79 HDAC1 (0.59) HDAC1HDAC2NR1H4MAPT

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 8 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-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP 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
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 US disclosed
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 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 1/4885HDAC2 5/4885NR1H4 1465/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885NR1H4 1465/4885

“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.