SCHEMBL210213

SCHEMBL210213

Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc(O)cc3s2)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.81
HDAC2 Q92769 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC8 Q9BY41 1/20 0.57
DYRK1A Q13627 1/20 0.55
DYRK1B Q9Y463 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
SCD O00767 1/20 0.55
HDAC4 P56524 1/20 0.52
MEF2D Q14814 1/20 0.52

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
SCHEMBL214421 0.91 HDAC1 (0.82) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL2733826 0.89 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL4972632 0.89 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL213443 0.87 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL1064488 0.87 HDAC1 (1.00) HDAC1SCD
SCHEMBL211614 0.86 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL211854 0.84 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC8SCD
SCHEMBL8349413 0.83 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL1065887 0.83 HDAC1 (0.86) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL211650 0.83 HDAC1 (0.60) HDAC1DYRK1ADYRK1BSCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP claimed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US claimed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO claimed
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP 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-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
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.