SCHEMBL3502200

SCHEMBL3502200

O=C(CCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)NO

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.71
HDAC4 P56524 15/20 0.71
HDAC2 Q92769 14/20 0.71
HDAC6 Q9UBN7 14/20 0.71
HDAC3 O15379 13/20 0.71
HDAC7 Q8WUI4 13/20 0.71
HDAC10 Q969S8 13/20 0.71
HDAC11 Q96DB2 13/20 0.71
HDAC8 Q9BY41 13/20 0.71
HDAC9 Q9UKV0 13/20 0.71
HDAC5 Q9UQL6 13/20 0.71
MEF2D Q14814 2/20 0.59
EP300 Q09472 1/20 0.57

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
SCHEMBL3502203 1.00 HDAC1 (0.71) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL8119450 0.89 HDAC6 (0.76) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL8113232 0.89 HDAC6 (0.76) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL8117831 0.88 HDAC6 (0.77) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL8061147 0.88 HDAC1 (0.75) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL3504520 0.86 HDAC1 (0.64) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL3504524 0.86 HDAC1 (0.64) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL14345915 0.86 HDAC6 (0.72) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL13288533 0.85 HDAC1 (0.65) HDAC1HDAC4HDAC2HDAC6HDAC3
SCHEMBL8068180 0.85 HDAC6 (0.75) HDAC1HDAC4HDAC2HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795304-B2 such as S)-[6-Hydroxycarbamoyl-1-(4-phenyl-thiazol-2-ylcarbamoyl)-hexyl]-carbamic acid benzyl ester, useful in the prevention and/or treatment cancer, restenosis, autoimmune diseases, allergies, inflammatory diseases, nervous system disorders such as neurodegenerative diseases MERCK SHARP & DOHME CORP. (US) 2010-09-14 US claimed
US-20090118291-A1 Histone deacetylase inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US claimed
EP-1784194-A1 HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2007-05-16 EP claimed
WO-2006026260-A1 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-03-09 WO claimed
US-7795304-B2 such as S)-[6-Hydroxycarbamoyl-1-(4-phenyl-thiazol-2-ylcarbamoyl)-hexyl]-carbamic acid benzyl ester, useful in the prevention and/or treatment cancer, restenosis, autoimmune diseases, allergies, inflammatory diseases, nervous system disorders such as neurodegenerative diseases MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-7795304-B2 such as S)-[6-Hydroxycarbamoyl-1-(4-phenyl-thiazol-2-ylcarbamoyl)-hexyl]-carbamic acid benzyl ester, useful in the prevention and/or treatment cancer, restenosis, autoimmune diseases, allergies, inflammatory diseases, nervous system disorders such as neurodegenerative diseases MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-7795304-B2 such as S)-[6-Hydroxycarbamoyl-1-(4-phenyl-thiazol-2-ylcarbamoyl)-hexyl]-carbamic acid benzyl ester, useful in the prevention and/or treatment cancer, restenosis, autoimmune diseases, allergies, inflammatory diseases, nervous system disorders such as neurodegenerative diseases MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-20090118291-A1 Histone deacetylase inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118291-A1 Histone deacetylase inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20090118291-A1 Histone deacetylase inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
EP-1784194-A1 HISTONE DEACETYLASE INHIBITORS Merck & Co., Inc. (US) 2007-05-16 EP disclosed
WO-2006026260-A1 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-03-09 WO disclosed
WO-2006026260-A1 HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2006-03-09 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-20090118291-A1 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC9 HDAC1 1/4885HDAC4 5/4885HDAC2 8/4885

“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.