SCHEMBL4581162

SCHEMBL4581162

COC(=O)CCCCCCC(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.73
HDAC1 Q13547 11/20 0.73
HDAC3 O15379 9/20 0.71
HDAC4 P56524 8/20 0.71
HDAC7 Q8WUI4 8/20 0.71
HDAC2 Q92769 8/20 0.71
HDAC10 Q969S8 8/20 0.71
HDAC11 Q96DB2 8/20 0.71
HDAC8 Q9BY41 8/20 0.71
HDAC9 Q9UKV0 8/20 0.71
HDAC5 Q9UQL6 8/20 0.71
PTPRC P08575 3/20 0.60
PTPN13 Q12923 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
AURKB Q96GD4 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL31635250 0.89 PTPRC (0.65) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL313148 0.87 HDAC4 (0.68) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8409096 0.87 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL7368415 0.87 HDAC1 (0.73) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5278428 0.86 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1067946 0.86 HDAC6 (0.81) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL8409079 0.86 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL541048 0.85 LMNA (0.68) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6037980 0.85 HDAC6 (0.74) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6037928 0.85 HDAC6 (0.79) HDAC6HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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
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 HDAC6 6/4885HDAC1 1/4885HDAC3 3/4885

“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.