SCHEMBL13864838

SCHEMBL13864838

COc1ccc(S(=O)(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.58
▸ HDAC4 P56524 10/20 0.58
▸ HDAC2 Q92769 10/20 0.58
▸ HDAC3 O15379 9/20 0.58
▸ HDAC7 Q8WUI4 9/20 0.58
▸ HDAC10 Q969S8 9/20 0.58
▸ HDAC11 Q96DB2 9/20 0.58
▸ HDAC8 Q9BY41 9/20 0.58
▸ HDAC6 Q9UBN7 9/20 0.58
▸ HDAC9 Q9UKV0 9/20 0.58
▸ HDAC5 Q9UQL6 9/20 0.58
▸ KCNQ1 P51787 1/20 0.57
▸ AIMP2 Q13155 1/20 0.57
▸ APP P05067 1/20 0.52
▸ EP300 Q09472 1/20 0.51
▸ MEF2D Q14814 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ USP8 P40818 1/20 0.50
▸ BMP1 P13497 1/20 0.49

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 0.92 HDAC6 (0.64) HDAC1HDAC4HDAC2HDAC3HDAC7
SCHEMBL13864842 0.92 HDAC6 (0.66) HDAC1HDAC4HDAC2HDAC3HDAC7
SCHEMBL13864843 0.91 HDAC1 (0.55) HDAC1HDAC4HDAC2HDAC3HDAC7
SCHEMBL13864829 0.90 HDAC6 (0.62) HDAC1HDAC4HDAC2HDAC3HDAC7
SCHEMBL13864783 0.89 HDAC6 (0.61) HDAC1HDAC4HDAC2HDAC3HDAC7
SCHEMBL13864791 0.89 HDAC6 (0.61) HDAC1HDAC4HDAC2HDAC3HDAC7
SCHEMBL13864839 0.89 HDAC1 (0.60) HDAC1HDAC4HDAC2HDAC3HDAC7
SCHEMBL13867595 0.88 HDAC6 (0.59) HDAC1HDAC4HDAC2HDAC3HDAC7
SCHEMBL13864809 0.87 HDAC6 (0.59) HDAC1HDAC4HDAC2HDAC3HDAC7
SCHEMBL13864751 0.84 HDAC2 (0.62) HDAC1HDAC4HDAC2HDAC3HDAC7

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 HDAC1 1/4885HDAC4 7/4885HDAC2 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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