SCHEMBL5281225

SCHEMBL5281225

O=C(COCc1cc[n+]([O-])cc1)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.53
HDAC6 Q9UBN7 17/20 0.53
HDAC3 O15379 15/20 0.52
HDAC8 Q9BY41 14/20 0.52
HDAC4 P56524 13/20 0.52
HDAC7 Q8WUI4 13/20 0.52
HDAC2 Q92769 13/20 0.52
HDAC10 Q969S8 13/20 0.52
HDAC11 Q96DB2 13/20 0.52
HDAC9 Q9UKV0 13/20 0.52
HDAC5 Q9UQL6 13/20 0.52
MGLL Q99685 1/20 0.43

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
SCHEMBL5281028 0.91 HDAC6 (0.60) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL5280542 0.87 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL6038060 0.87 HDAC6 (0.57) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL5293057 0.87 HDAC6 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL5280854 0.87 HDAC6 (0.56) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL5282785 0.87 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL5281346 0.87 HDAC6 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL5289076 0.87 HDAC6 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL6038201 0.85 HDAC6 (0.54) HDAC1HDAC6HDAC3HDAC8HDAC4
SCHEMBL6038076 0.85 HDAC6 (0.54) HDAC1HDAC6HDAC3HDAC8HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP 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 (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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC6 17/4885HDAC3 2/4885

“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.