SCHEMBL2840995

SCHEMBL2840995

O=C(NO)C(c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 9/20 0.77
HDAC7 Q8WUI4 5/20 0.77
HDAC5 Q9UQL6 5/20 0.77
HDAC3 O15379 3/20 0.70
HDAC8 Q9BY41 3/20 0.70
HDAC6 Q9UBN7 3/20 0.70
HDAC9 Q9UKV0 3/20 0.70
HDAC1 Q13547 2/20 0.70
HDAC2 Q92769 2/20 0.70
HDAC10 Q969S8 2/20 0.70
HDAC11 Q96DB2 2/20 0.70
CNR1 P21554 2/20 0.57
CNR2 P34972 1/20 0.54
S1PR3 Q99500 2/20 0.50
S1PR1 P21453 1/20 0.50
CTSD P07339 1/20 0.49
PRCP P42785 3/20 0.48
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.45
MEN1 O00255 2/20 0.45

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 0.90 HDAC4 (0.81) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490427 0.90 HDAC4 (0.61) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL2848402 0.88 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490227 0.87 HDAC4 (0.70) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490466 0.86 HDAC4 (0.60) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490225 0.86 HDAC4 (0.70) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490517 0.85 HDAC4 (0.58) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL2839032 0.84 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL2840844 0.83 HDAC4 (0.77) HDAC4HDAC7HDAC5HDAC3HDAC8
SCHEMBL20490123 0.83 HDAC4 (0.70) HDAC4HDAC7HDAC5HDAC3HDAC8

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 9 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-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
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 10/4885HDAC7 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.