SCHEMBL2686282

SCHEMBL2686282

CNC(=O)C(CNS(C)(=O)=O)c1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.59
HDAC2 Q92769 5/20 0.51
GRIA4 P48058 1/20 0.46
KCNH2 Q12809 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL2687187 0.92 HDAC1 (0.58) HDAC1HDAC2GRIA4KCNH2HDAC3
SCHEMBL2684949 0.89 HDAC1 (0.55) HDAC1HDAC2GRIA4KCNH2HDAC3
SCHEMBL2687859 0.88 HDAC1 (0.66) HDAC1HDAC2KCNH2HDAC3HDAC4
SCHEMBL2685023 0.88 HDAC1 (0.61) HDAC1HDAC2KCNH2HDAC3HDAC4
SCHEMBL2685864 0.85 HDAC1 (0.62) HDAC1HDAC2KCNH2HDAC3HDAC4
SCHEMBL4794788 0.83 HDAC1 (0.62) HDAC1HDAC2KCNH2HDAC3HDAC4
SCHEMBL2685888 0.81 HDAC1 (0.58) HDAC1HDAC2HDAC3
SCHEMBL2685397 0.79 HDAC1 (0.65) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2684775 0.78 HDAC1 (0.55) HDAC1HDAC2KCNH2HDAC3
SCHEMBL31109065 0.78 HDAC1 (0.71) HDAC1HDAC2KCNH2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP claimed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US claimed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US claimed
EP-1991226-A2 INHIBITORS OF HISTONE DEACETYLASE Merck & Co., Inc. (US) 2008-11-19 EP claimed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 WO claimed
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 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-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 HDAC1 1/4885HDAC2 4/4885GRIA4 1602/4885

“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.