SCHEMBL2759524

SCHEMBL2759524

Nc1ccccc1NC(=O)c1ccc(Cc2cc(N)c(NC(=O)C3CC3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.52
HDAC2 Q92769 7/20 0.47
HDAC3 O15379 4/20 0.47
NCOR2 Q9Y618 1/20 0.47
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL251064 0.89 HDAC1 (0.48) HDAC1HDAC2HDAC3NCOR2
SCHEMBL2759508 0.81 HDAC1 (0.51) HDAC1HDAC2HDAC3NCOR2
SCHEMBL2734094 0.76 HDAC1 (0.55) HDAC1HDAC2HDAC3NCOR2MAPK1
SCHEMBL211517 0.76 KDM4E (0.52) HDAC1HDAC2HDAC3NCOR2
SCHEMBL5584016 0.76 HDAC1 (0.49) HDAC1HDAC2HDAC3NCOR2MAPK1
SCHEMBL1063144 0.76 ALDH1A1 (0.53) HDAC1HDAC2HDAC3NCOR2
SCHEMBL211600 0.75 HDAC1 (0.55) HDAC1HDAC2HDAC3NCOR2MAPK1
SCHEMBL211203 0.75 HDAC1 (0.49) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1064188 0.74 HDAC1 (0.50) HDAC1HDAC2HDAC3NCOR2
SCHEMBL210743 0.74 HDAC1 (0.52) HDAC1HDAC2HDAC3NCOR2MAPK1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.