SCHEMBL2844092

SCHEMBL2844092

O=C(NO)C(c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.74
HDAC1 Q13547 9/20 0.62
HDAC8 Q9BY41 7/20 0.62
HDAC3 O15379 3/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC10 Q969S8 3/20 0.62
HDAC11 Q96DB2 3/20 0.62
HDAC6 Q9UBN7 3/20 0.62
HDAC9 Q9UKV0 3/20 0.62
HDAC5 Q9UQL6 3/20 0.62
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
KEAP1 Q14145 2/20 0.54
IL1RN P18510 1/20 0.54
ERAP1 Q9NZ08 1/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL2839414 0.91 HDAC4 (0.63) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2839224 0.91 HDAC4 (0.70) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2837267 0.91 HDAC4 (0.63) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL20490290 0.88 KMT2A (0.64) HDAC4HDAC1MEN1KMT2AALDH1A1
SCHEMBL20490241 0.87 HDAC4 (0.59) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2847915 0.87 HDAC4 (0.66) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL20490193 0.87 HDAC4 (0.60) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2840272 0.87 HDAC3 (0.62) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2838422 0.87 HDAC1 (0.60) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL2841736 0.87 PGR (0.63) HDAC4HDAC1HDAC8HDAC3HDAC7

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 11 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
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
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 10/4885HDAC1 1/4885HDAC8 11/4885

“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.