SCHEMBL211578

SCHEMBL211578

COC(=O)c1ccc(CNc2nccc(-c3ccc(O)c(F)c3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.52
DYRK1A Q13627 4/20 0.47
CLK4 Q9HAZ1 4/20 0.47
DYRK1B Q9Y463 3/20 0.47
CLK1 P49759 2/20 0.47
CLK2 P49760 2/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC3 O15379 4/20 0.47
NCOR1 O75376 4/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
EIF2AK2 P19525 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
CYP3A4 P08684 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
NCOR2 Q9Y618 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
SCHEMBL2759527 0.84 HDAC1 (0.52) HDAC1DYRK1ACLK4DYRK1BCLK1
SCHEMBL211746 0.84 HDAC1 (0.56) HDAC1DYRK1ACLK4DYRK1BHDAC2
SCHEMBL210693 0.83 HDAC1 (0.55) HDAC1DYRK1ACLK4DYRK1BCLK1
SCHEMBL1065202 0.78 HDAC3 (0.74) HDAC1DYRK1ACLK4DYRK1BHDAC2
SCHEMBL211213 0.78 HDAC1 (0.63) HDAC1DYRK1ACLK4DYRK1BCLK1
SCHEMBL6750787 0.74 HDAC1 (0.69) HDAC1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2733584 0.74 HDAC1 (0.55) HDAC1DYRK1ACLK4HDAC2HDAC3
SCHEMBL10272800 0.74 CA1 (0.51) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL210753 0.74 ALDH1A1 (0.53) DYRK1ACLK4DYRK1BCLK1CLK2
SCHEMBL210040 0.73 HDAC1 (0.87) HDAC1HDAC2HDAC3NCOR1HDAC8

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 9 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
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 1/4885DYRK1A 3424/4885CLK4 2550/4885

“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.