SCHEMBL4582008

SCHEMBL4582008

NN(C(=O)c1cccc(NC(=O)OCc2cccnc2)c1)c1cccc(-c2cccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.59
HDAC3 O15379 6/20 0.59
HDAC2 Q92769 6/20 0.59
HDAC8 Q9BY41 1/20 0.51
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC4 P56524 1/20 0.43
MEF2D Q14814 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
NAMPT P43490 1/20 0.41
MGLL Q99685 2/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CCKAR P32238 1/20 0.40
HTR5A P47898 1/20 0.40

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
SCHEMBL4580090 0.93 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8LMNA
SCHEMBL1067366 0.85 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL4582004 0.80 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4579959 0.78 HDAC1 (0.41) HDAC1HDAC3HDAC2HTR1AADORA3
SCHEMBL4577475 0.78 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8HTT
SCHEMBL15397978 0.77 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8LMNA
SCHEMBL1066523 0.77 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL30118374 0.74 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8
SCHEMBL13833519 0.74 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8
SCHEMBL4580183 0.74 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885

“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.