SCHEMBL1930404

SCHEMBL1930404

C[Si](C)(c1ccccc1)C1CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.73
HDAC3 O15379 2/20 0.73
KCNH2 Q12809 16/20 0.70
HDAC1 Q13547 18/20 0.66
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62

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
SCHEMBL1930509 0.85 HDAC1 (0.61) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL4579682 0.85 HDAC2 (1.00) HDAC2HDAC3KCNH2HDAC1
SCHEMBL4324527 0.85 HDAC2 (0.77) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL4578327 0.84 HDAC2 (0.82) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL4578091 0.83 HDAC2 (0.72) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL1932089 0.83 HDAC1 (0.61) HDAC2HDAC3KCNH2HDAC1
SCHEMBL4430011 0.83 HDAC2 (0.83) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL2208214 0.83 HDAC2 (0.74) HDAC2HDAC3KCNH2HDAC1
SCHEMBL1930524 0.83 HDAC2 (0.82) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL20181475 0.83 KCNH2 (1.00) HDAC2HDAC3KCNH2HDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130361-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS GRIMM JONATHAN 2011-06-02 US claimed
US-20110130361-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS GRIMM JONATHAN 2011-06-02 US disclosed
US-20110130361-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS GRIMM JONATHAN 2011-06-02 US disclosed
EP-2185554-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-05-19 EP disclosed
WO-2009020589-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-02-12 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-20110130361-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC2 HDAC2 3/4885HDAC3 10/4885KCNH2 3419/4885

“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.