SCHEMBL2847073

SCHEMBL2847073

O=C(NO)C(c1ccccc1)c1ccc(OCc2ccc(F)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
BACE1 P56817 2/20 0.56
MAOB P27338 1/20 0.54
HDAC4 P56524 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC5 Q9UQL6 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
PPARA Q07869 1/20 0.50
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
CYP1A1 P04798 1/20 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
SCHEMBL20490180 0.91 HDAC4 (0.53) GSK3BBACE1MAOBHDAC4HDAC7
SCHEMBL2839114 0.88 FNTA (0.56) MAOBHDAC4HDAC7HDAC5HDAC3
SCHEMBL20490407 0.83 HDAC1 (0.59) MAOBHDAC4HDAC7HDAC5HDAC3
SCHEMBL2839714 0.81 HDAC4 (0.64) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL20490129 0.80 HDAC4 (0.50) MAOBHDAC4HDAC7HDAC5HDAC3
SCHEMBL2839201 0.79 MEN1 (0.60) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL2841929 0.79 HDAC6 (0.62) GSK3BBACE1MAOBHDAC4HDAC7
SCHEMBL2844329 0.78 NR4A2 (0.59) MAOBHDAC4HDAC7HDAC5HDAC3
SCHEMBL20490238 0.78 HDAC4 (0.58) HDAC4HDAC7HDAC5HDAC3HDAC1
SCHEMBL4933248 0.77 MAOB (0.57) GSK3BBACE1MAOBHDAC8PPARA

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 GSK3B 162/4885BACE1 1454/4885MAOB 183/4885

“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.