SCHEMBL5460436

SCHEMBL5460436

NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.77
HDAC1 Q13547 15/20 0.77
HDAC4 P56524 13/20 0.75
HDAC3 O15379 12/20 0.75
HDAC7 Q8WUI4 12/20 0.75
HDAC11 Q96DB2 12/20 0.75
HDAC8 Q9BY41 12/20 0.75
HDAC9 Q9UKV0 12/20 0.75
HDAC5 Q9UQL6 12/20 0.75
HDAC2 Q92769 11/20 0.75
HDAC10 Q969S8 11/20 0.75
NCOR2 Q9Y618 1/20 0.56
AURKB Q96GD4 1/20 0.56
CFD P00746 1/20 0.56
MGLL Q99685 1/20 0.55

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
SCHEMBL6037923 0.99 HDAC6 (0.74) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL1067946 0.88 HDAC6 (0.81) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL6037928 0.87 HDAC6 (0.79) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL6037929 0.87 HDAC6 (0.79) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL6386310 0.87 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL16016602 0.87 HDAC1 (1.00) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL14135053 0.86 HDAC6 (0.72) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL31203555 0.86 HDAC6 (0.72) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL4837664 0.86 HDAC6 (0.72) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL28608420 0.86 HDAC6 (0.72) HDAC6HDAC1HDAC4HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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 (2 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC6 17/4885HDAC1 1/4885HDAC4 7/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 HDAC6 11/4885HDAC1 1/4885HDAC4 12/4885

“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.