SCHEMBL211746

SCHEMBL211746

COC(=O)c1ccc(CNc2nccc(-c3ccc(OCc4ccccc4)c(F)c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.56
PIK3CA P42336 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CDK9 P50750 1/20 0.47
CCNA1 P78396 1/20 0.47
HDAC2 Q92769 4/20 0.46
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
HDAC3 O15379 3/20 0.44
NCOR1 O75376 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
DYRK1B Q9Y463 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CAMK2D Q13557 1/20 0.44
CYP3A4 P08684 1/20 0.43
HDAC11 Q96DB2 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 0.86 HDAC1 (0.52) HDAC1HDAC2DYRK1ACLK4HDAC3
SCHEMBL210693 0.85 HDAC1 (0.55) HDAC1HDAC2DYRK1ACLK4HDAC3
SCHEMBL211578 0.84 HDAC1 (0.52) HDAC1HDAC2DYRK1ACLK4HDAC3
SCHEMBL2733584 0.78 HDAC1 (0.55) HDAC1PIK3CAHDAC2DYRK1ACLK4
SCHEMBL210040 0.77 HDAC1 (0.87) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL8279955 0.77 HDAC1 (0.50) HDAC1PIK3CAHDAC2DYRK1ACLK4
SCHEMBL6750787 0.76 HDAC1 (0.69) HDAC1CCNT1CDK9HDAC2DYRK1A
SCHEMBL1065202 0.75 HDAC3 (0.74) HDAC1HDAC2DYRK1ACLK4HDAC3
SCHEMBL212798 0.74 HDAC1 (0.79) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL8280122 0.73 HDAC1 (0.71) 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 7 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-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-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 1/4885PIK3CA 1548/4885CCNT1 208/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885PIK3CA 2042/4885CCNT1 110/4885

“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.