SCHEMBL2685261

SCHEMBL2685261

CCOC(=O)C(Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)N(C)C

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.70
HDAC1 Q13547 19/20 0.69
HDAC2 Q92769 4/20 0.69
HDAC3 O15379 1/20 0.61
HDAC8 Q9BY41 1/20 0.61

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
SCHEMBL14775943 0.89 HDAC1 (0.67) KCNH2HDAC1HDAC2HDAC3HDAC8
SCHEMBL5548579 0.88 HDAC1 (0.66) KCNH2HDAC1HDAC2
SCHEMBL2686632 0.83 KCNH2 (1.00) KCNH2HDAC1HDAC2HDAC3HDAC8
SCHEMBL2209274 0.82 HDAC1 (0.75) KCNH2HDAC1HDAC2HDAC3HDAC8
SCHEMBL8101991 0.82 HDAC1 (1.00) KCNH2HDAC1HDAC2HDAC3HDAC8
SCHEMBL14472973 0.82 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC8
SCHEMBL2209831 0.82 HDAC1 (0.72) KCNH2HDAC1HDAC2HDAC3HDAC8
SCHEMBL2208768 0.81 HDAC1 (0.70) KCNH2HDAC1HDAC2HDAC3HDAC8
SCHEMBL2211918 0.81 HDAC1 (0.74) HDAC1HDAC2
SCHEMBL2685880 0.81 KCNH2 (0.67) KCNH2HDAC1HDAC2HDAC3

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 10 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-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
EP-1991226-A2 INHIBITORS OF HISTONE DEACETYLASE Merck & Co., Inc. (US) 2008-11-19 EP disclosed
WO-2007100657-A2 INHIBITORS OF HISTONE DEACETYLASE MERCK & CO., INC. (US) 2007-09-07 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-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 KCNH2 3411/4885HDAC1 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.