SCHEMBL212710

SCHEMBL212710

COC(=O)c1ccc(CNc2nccc(-c3ccc(OCCN4CCOCC4)cc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.71
KDM1A O60341 1/20 0.57
EIF2AK2 P19525 1/20 0.52
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
AURKB Q96GD4 2/20 0.48
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
JAK2 O60674 2/20 0.47
JAK3 P52333 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL209573 0.91 HDAC1 (0.73) HDAC1KDM1AABL1BCRGAA
SCHEMBL210675 0.83 HDAC1 (1.00) HDAC1JAK2HDAC6
SCHEMBL63569 0.81 SMN1; SMN2 (0.72) GAASMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL14918575 0.80 HDAC1 (0.59) HDAC1KDM1AHDAC6
Hydrochloric Acid SCHEMBL20575882 0.80 SMN1; SMN2 (0.70) GAASMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL13253732 0.76 JAK2 (0.60) HDAC1KDM1AABL1BCRCLK1
SCHEMBL1065095 0.76 AURKB (0.79) HDAC1AURKB
SCHEMBL2862697 0.76 JAK2 (0.77) HDAC1CLK1JAK2JAK3
SCHEMBL212310 0.75 HDAC1 (1.00) HDAC1JAK2HDAC6
SCHEMBL9339391 0.74 GAA (0.60) GAASMN1; SMN2KDM4EALDH1A1HRH3

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 8 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

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 1/4885KDM1A 43/4885EIF2AK2 747/4885

“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.