SCHEMBL6038155

SCHEMBL6038155

O=C(CBr)NCCCCCC(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.78
HDAC1 Q13547 18/20 0.78
HDAC3 O15379 16/20 0.78
HDAC4 P56524 16/20 0.78
HDAC7 Q8WUI4 16/20 0.78
HDAC2 Q92769 16/20 0.78
HDAC10 Q969S8 16/20 0.78
HDAC11 Q96DB2 16/20 0.78
HDAC8 Q9BY41 16/20 0.78
HDAC9 Q9UKV0 16/20 0.78
HDAC5 Q9UQL6 16/20 0.78
AURKB Q96GD4 1/20 0.53

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
SCHEMBL6038178 0.99 HDAC6 (0.76) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6037963 0.91 HDAC6 (0.67) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL6038181 0.89 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5328660 0.88 HDAC1 (0.73) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL3736839 0.88 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5240357 0.88 HDAC6 (0.78) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5282313 0.86 HDAC1 (0.70) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5285806 0.84 HDAC6 (0.64) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5281150 0.83 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL5279352 0.83 HDAC6 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC6 17/4885HDAC1 1/4885HDAC3 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.