SCHEMBL2686017

SCHEMBL2686017

CNC(=O)[C@@H](N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.77
HDAC1 Q13547 17/20 0.69
HDAC2 Q92769 9/20 0.69
HDAC3 O15379 4/20 0.69
HDAC4 P56524 2/20 0.69
HDAC7 Q8WUI4 2/20 0.69
HDAC10 Q969S8 2/20 0.69
HDAC11 Q96DB2 2/20 0.69
HDAC8 Q9BY41 2/20 0.69
HDAC6 Q9UBN7 2/20 0.69
HDAC9 Q9UKV0 2/20 0.69
HDAC5 Q9UQL6 2/20 0.69

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
SCHEMBL2684709 1.00 KCNH2 (0.77) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2684517 1.00 KCNH2 (0.77) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4520366 0.90 HDAC1 (0.69) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4517739 0.90 HDAC1 (0.69) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4505888 0.90 HDAC1 (0.69) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4310691 0.89 HDAC1 (0.68) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4310695 0.89 HDAC1 (0.68) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL4317008 0.89 HDAC1 (0.68) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL1931809 0.89 KCNH2 (0.78) KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2684758 0.89 KCNH2 (0.78) KCNH2HDAC1HDAC2HDAC3HDAC4

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 9 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 disclosed
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
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.