SCHEMBL5543846

SCHEMBL5543846

CCNC(=O)C(NC(=O)OCc1cccnc1)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.71
HDAC2 Q92769 9/20 0.71
HDAC3 O15379 7/20 0.71
HDAC8 Q9BY41 3/20 0.71
KCNH2 Q12809 2/20 0.56
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53

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
SCHEMBL5547574 0.93 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC8KCNH2
SCHEMBL5543859 0.92 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC8KCNH2
SCHEMBL5547254 0.91 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC8KCNH2
SCHEMBL2684970 0.91 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC8KCNH2
SCHEMBL2684365 0.91 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC8KCNH2
SCHEMBL14781038 0.91 HDAC1 (0.74) HDAC1HDAC2HDAC3HDAC8KCNH2
SCHEMBL5548542 0.90 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC8KCNH2
SCHEMBL5547594 0.89 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC8KCNH2
SCHEMBL5547973 0.84 HDAC1 (0.73) HDAC1HDAC2HDAC3HDAC8KCNH2
SCHEMBL1066960 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8KCNH2

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 7 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
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-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
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 HDAC1 1/4885HDAC2 4/4885HDAC3 5/4885

“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.