SCHEMBL213744

SCHEMBL213744

COc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.71
HDAC2 Q92769 8/20 0.71
ALDH1A1 P00352 1/20 0.54
POLB P06746 1/20 0.54
HDAC3 O15379 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL1064557 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1063140 0.84 HDAC1 (0.63) HDAC1HDAC2ALDH1A1POLBHDAC3
SCHEMBL210211 0.82 HDAC1 (0.70) HDAC1HDAC2
SCHEMBL211732 0.79 HDAC1 (0.84) HDAC1HDAC2HDAC3NCOR2
SCHEMBL209459 0.79 HDAC1 (0.84) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1060645 0.79 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL8279137 0.78 HDAC1 (0.67) HDAC1HDAC2HDAC3NCOR2
SCHEMBL209924 0.78 HDAC1 (0.57) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1079424 0.77 HDAC1 (0.74) HDAC1HDAC2POLBHDAC3NCOR2
SCHEMBL1064968 0.77 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 10/4885ALDH1A1 680/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 12/4885ALDH1A1 758/4885

“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.