SCHEMBL2839404

SCHEMBL2839404

O=C(NO)C(c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
PPARG P37231 9/20 0.49
PPARA Q07869 9/20 0.49
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
PPARD Q03181 1/20 0.46
MCL1 Q07820 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
CYP1A2 P05177 1/20 0.45
CTSD P07339 1/20 0.42

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
SCHEMBL20490634 0.86 TRPV1 (0.50) HDAC4HDAC7HDAC5HDAC8HDAC6
SCHEMBL20490498 0.82 HDAC4 (0.58) HDAC4HDAC7HDAC5HDAC8HDAC6
SCHEMBL20490358 0.80 HDAC4 (0.53) HDAC4HDAC7HDAC5HDAC8HDAC6
SCHEMBL2842461 0.80 HDAC4 (0.81) HDAC4HDAC7HDAC5HDAC8HDAC6
SCHEMBL20490457 0.79 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC8HDAC6
SCHEMBL20490215 0.79 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC8HDAC6
SCHEMBL2839032 0.78 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC8HDAC6
SCHEMBL20490502 0.77 HDAC4 (0.55) HDAC4HDAC7HDAC5HDAC8HDAC6
SCHEMBL16641825 0.77 HDAC8 (0.48) HDAC4HDAC7HDAC5HDAC8HDAC6
SCHEMBL20490486 0.76 HDAC4 (0.58) HDAC4HDAC7HDAC5HDAC8HDAC6

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 12 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
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
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.