SCHEMBL13864829

SCHEMBL13864829

O=C(CCCCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccc2)cs1)NO

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 16/20 0.62
▸ HDAC1 Q13547 15/20 0.62
▸ HDAC2 Q92769 14/20 0.62
▸ HDAC3 O15379 13/20 0.62
▸ HDAC10 Q969S8 13/20 0.62
▸ HDAC8 Q9BY41 13/20 0.62
▸ HDAC4 P56524 13/20 0.62
▸ HDAC7 Q8WUI4 12/20 0.62
▸ HDAC11 Q96DB2 12/20 0.62
▸ HDAC9 Q9UKV0 12/20 0.62
▸ HDAC5 Q9UQL6 12/20 0.62
▸ EP300 Q09472 1/20 0.47
▸ MEF2D Q14814 1/20 0.47

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
SCHEMBL13864836 0.95 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13864842 0.95 HDAC6 (0.66) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13864783 0.92 HDAC6 (0.61) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13864791 0.92 HDAC6 (0.61) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13867595 0.91 HDAC6 (0.59) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13864809 0.90 HDAC6 (0.59) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13864838 0.90 HDAC1 (0.58) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13864839 0.90 HDAC1 (0.60) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13864785 0.86 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13864756 0.85 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC3HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534918-B2 Histone deacetylase inhibitors MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
US-7534918-B2 Histone deacetylase inhibitors MERCK & CO., INC. (US) 2009-05-19 — — US disclosed
US-20080015216-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-01-17 — — US disclosed
US-20080015216-A1 Histone Deacetylase Inhibitors MERCK SHARP & DOHME LLC 2008-01-17 — — US 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-20080015216-A1 Histone Deacetylase Inhibitors HDAC1, HDAC5, HDAC9 HDAC6 5/4885HDAC1 1/4885HDAC2 4/4885

“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.

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