SCHEMBL212499

SCHEMBL212499

COc1cc(O[C@H]2CCN(c3ccc(C(=O)Nc4ccccc4N)cc3)C2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.52
HDAC3 O15379 7/20 0.50
HDAC2 Q92769 7/20 0.50
HDAC6 Q9UBN7 6/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC4 P56524 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
KCNH2 Q12809 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.45
ABCB1 P08183 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44

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
SCHEMBL212500 1.00 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL212090 0.86 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL212089 0.86 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL18784211 0.85 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL210326 0.85 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL14556242 0.84 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL210548 0.83 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL210549 0.83 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL211195 0.82 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC6HDAC7
SCHEMBL211194 0.82 HDAC1 (0.54) HDAC1HDAC3HDAC2HDAC6HDAC7

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP claimed
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP disclosed
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 EP 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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 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
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (3 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC3 4/4885HDAC2 10/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC3 5/4885HDAC2 12/4885

“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.