SCHEMBL2844899

SCHEMBL2844899

O=C(NO)C(c1ccccc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.72
HDAC7 Q8WUI4 4/20 0.72
HDAC5 Q9UQL6 4/20 0.72
HDAC8 Q9BY41 3/20 0.72
HDAC3 O15379 2/20 0.72
HDAC1 Q13547 2/20 0.72
HDAC2 Q92769 2/20 0.72
HDAC10 Q969S8 2/20 0.72
HDAC11 Q96DB2 2/20 0.72
HDAC6 Q9UBN7 2/20 0.72
HDAC9 Q9UKV0 2/20 0.72
CTSD P07339 1/20 0.50
SRD5A2 P31213 1/20 0.50
MMP13 P45452 3/20 0.49
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
POLB P06746 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
SCHEMBL20490308 0.95 HDAC4 (0.66) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL20490623 0.87 HDAC8 (0.55) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL20490522 0.85 HDAC4 (0.57) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL2842960 0.85 HDAC1 (0.66) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL2839032 0.85 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL28785765 0.85 HDAC4 (0.70) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL2842753 0.82 HDAC4 (0.66) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL2848406 0.81 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL2846564 0.81 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC8HDAC3
SCHEMBL2841700 0.81 HDAC3 (0.64) HDAC4HDAC7HDAC5HDAC8HDAC3

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.