SCHEMBL210693

SCHEMBL210693

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.55
DYRK1A Q13627 4/20 0.45
CLK4 Q9HAZ1 4/20 0.45
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 2/20 0.42
NCOR1 O75376 2/20 0.42
DYRK1B Q9Y463 3/20 0.42
CLK1 P49759 2/20 0.42
CLK2 P49760 2/20 0.42
CDC7 O00311 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDR P35968 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL2733584 0.92 HDAC1 (0.55) HDAC1DYRK1ACLK4ABL1BCR
SCHEMBL2759527 0.89 HDAC1 (0.52) HDAC1DYRK1ACLK4HDAC2HDAC3
SCHEMBL211746 0.85 HDAC1 (0.56) HDAC1DYRK1ACLK4HDAC2HDAC3
SCHEMBL212798 0.84 HDAC1 (0.79) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL211578 0.83 HDAC1 (0.52) HDAC1DYRK1ACLK4HDAC2HDAC3
SCHEMBL8279955 0.78 HDAC1 (0.50) HDAC1DYRK1ACLK4HDAC2HDAC3
SCHEMBL210040 0.73 HDAC1 (0.87) HDAC1HDAC2HDAC3NCOR1HDAC8
SCHEMBL6750787 0.73 HDAC1 (0.69) HDAC1DYRK1ACLK4HDAC2HDAC3
SCHEMBL1065202 0.72 HDAC3 (0.74) HDAC1DYRK1ACLK4ABL1BCR
SCHEMBL8280122 0.72 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 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
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 1/4885DYRK1A 3424/4885CLK4 2550/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885DYRK1A 3550/4885CLK4 2700/4885

“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.