SCHEMBL213411

SCHEMBL213411

COc1cc(-c2nc3cc(NCc4ccc(C(=O)Nc5ccccc5N)cc4)ccc3n2C)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.67
HDAC2 Q92769 4/20 0.62
HDAC3 O15379 2/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 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
SCHEMBL211202 0.92 HDAC1 (0.69) HDAC1HDAC2HDAC3NCOR2
SCHEMBL210466 0.85 HDAC1 (0.62) HDAC1HDAC2HDAC3NCOR2
SCHEMBL209821 0.84 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC7HDAC8
SCHEMBL210309 0.83 HDAC1 (0.59) HDAC1HDAC2HDAC3NCOR2
SCHEMBL210937 0.83 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC7HDAC8
SCHEMBL209922 0.82 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC7HDAC8
SCHEMBL1064968 0.81 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6NCOR2
SCHEMBL8280032 0.81 HDAC1 (0.58) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1062997 0.80 HDAC1 (0.94) HDAC1HDAC2HDAC3NCOR2
SCHEMBL210545 0.80 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC7HDAC8

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 4 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-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-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 10/4885HDAC3 4/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC2 12/4885HDAC3 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.