SCHEMBL2843249

SCHEMBL2843249

O=C(NO)C(c1ccccc1)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.70
HDAC7 Q8WUI4 4/20 0.68
HDAC5 Q9UQL6 4/20 0.68
HDAC6 Q9UBN7 4/20 0.68
HDAC1 Q13547 3/20 0.68
HDAC3 O15379 3/20 0.68
HDAC8 Q9BY41 3/20 0.68
HDAC9 Q9UKV0 3/20 0.68
HDAC2 Q92769 2/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
ROCK1 Q13464 6/20 0.51
ROCK2 O75116 5/20 0.51
RPS6KA5 O75582 4/20 0.51
AKT1 P31749 4/20 0.51
GSK3B P49841 4/20 0.51
PRKCD Q05655 4/20 0.51
PRKG2 Q13237 4/20 0.51
PRKG1 Q13976 4/20 0.51
PKN2 Q16513 4/20 0.51

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
SCHEMBL2842461 0.88 HDAC4 (0.81) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL2864046 0.88 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL20490658 0.88 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL2840256 0.85 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL2842606 0.84 HDAC4 (0.71) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL2839032 0.82 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL20490123 0.82 HDAC4 (0.70) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL20490227 0.82 HDAC4 (0.70) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL2840995 0.82 HDAC4 (0.77) HDAC4HDAC7HDAC5HDAC6HDAC1
SCHEMBL2840844 0.82 HDAC4 (0.77) HDAC4HDAC7HDAC5HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN claimed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP claimed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US claimed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HDAC4 10/4885HDAC7 7/4885HDAC5 4/4885

“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.