SCHEMBL209589

SCHEMBL209589

CC(C)(O)c1ccc(-c2ccnc(NCc3ccc(C(=O)O)cc3)n2)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.69
HDAC2 Q92769 4/20 0.51
HDAC3 O15379 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
NCOR1 O75376 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
CAMK2D Q13557 3/20 0.47
VCP P55072 1/20 0.47
SYK P43405 1/20 0.46
CYP3A4 P08684 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MAPK8 P45983 1/20 0.43
PIK3CG P48736 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43

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
SCHEMBL2733463 0.92 HDAC1 (0.59) HDAC1HDAC2HDAC3HDAC6NCOR1
SCHEMBL5584154 0.85 HDAC1 (0.53) HDAC1HDAC2HDAC3HDAC6VCP
SCHEMBL210681 0.82 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6NCOR1
SCHEMBL209801 0.81 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC6NCOR1
SCHEMBL14918084 0.80 HDAC6 (0.62) HDAC1HDAC6HDAC8
SCHEMBL5765172 0.79 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC6NCOR1
SCHEMBL1067828 0.78 HDAC3 (0.79) HDAC1HDAC2HDAC3HDAC6NCOR1
SCHEMBL210643 0.77 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC6NCOR1
SCHEMBL6750787 0.76 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC6NCOR1
SCHEMBL16408476 0.76 VCP (0.59) HDAC1HDAC2HDAC3HDAC6NCOR1

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
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP 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 (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.