SCHEMBL4580090

SCHEMBL4580090

NN(C(=O)c1ccc(NC(=O)OCc2cccnc2)cc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.59
HDAC3 O15379 7/20 0.59
HDAC2 Q92769 7/20 0.59
HDAC8 Q9BY41 1/20 0.53
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NAMPT P43490 1/20 0.46
TNFRSF1A P19438 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 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
SCHEMBL4582008 0.93 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8LMNA
SCHEMBL1067366 0.89 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL1066523 0.81 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8NAMPT
SCHEMBL4580081 0.79 HDAC1 (0.82) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL4578547 0.79 HDAC1 (0.43) HDAC1HDAC3HDAC2HDAC8MAPT
SCHEMBL4577475 0.78 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8ALDH1A1
SCHEMBL4579949 0.78 HDAC1 (0.41) HDAC1HDAC3HDAC2KCNH2
SCHEMBL15397978 0.78 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8LMNA
SCHEMBL4580183 0.78 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8NAMPT
SCHEMBL4578187 0.77 HDAC1 (0.44) HDAC1HDAC3HDAC2

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.