SCHEMBL2847597

SCHEMBL2847597

O=C(NO)C(c1ccccc1)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.70
HDAC7 Q8WUI4 4/20 0.70
HDAC5 Q9UQL6 4/20 0.70
HDAC1 Q13547 3/20 0.70
HDAC6 Q9UBN7 3/20 0.70
HDAC3 O15379 2/20 0.70
HDAC2 Q92769 2/20 0.70
HDAC10 Q969S8 2/20 0.70
HDAC11 Q96DB2 2/20 0.70
HDAC8 Q9BY41 2/20 0.70
HDAC9 Q9UKV0 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.51
CFTR P13569 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GOPC Q9HD26 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL2840256 0.86 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL3884253 0.85 KDM4E (0.51) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL20490355 0.84 HDAC8 (0.57) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL2839032 0.84 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL2840241 0.83 HDAC3 (0.55) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL4534187 0.82 SMN1; SMN2 (0.58) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2842557 0.81 HDAC4 (0.53) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL28785745 0.81 HDAC4 (0.53) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL2862699 0.80 LTA4H (0.59) HDAC4HDAC7HDAC5HDAC1HDAC6
SCHEMBL29937752 0.79 ALDH1A1 (0.55) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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 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.