SCHEMBL1932089

SCHEMBL1932089

C[Si](C)(c1ccccc1)C1CCN(Cc2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.61
HDAC3 O15379 2/20 0.61
KCNH2 Q12809 1/20 0.61
HDAC2 Q92769 5/20 0.58

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 0.88 HDAC1 (0.61) HDAC1HDAC3KCNH2HDAC2
SCHEMBL4579199 0.86 HDAC1 (0.72) HDAC1HDAC3KCNH2HDAC2
SCHEMBL4578542 0.84 HDAC1 (0.74) HDAC1HDAC3KCNH2HDAC2
SCHEMBL4578426 0.84 HDAC1 (0.76) HDAC1HDAC3KCNH2HDAC2
SCHEMBL1930404 0.83 HDAC2 (0.73) HDAC1HDAC3KCNH2HDAC2
SCHEMBL4314623 0.83 HDAC1 (0.66) HDAC1HDAC3KCNH2HDAC2
SCHEMBL1063737 0.83 HDAC1 (0.75) HDAC1HDAC3KCNH2HDAC2
SCHEMBL4579079 0.83 HDAC1 (0.75) HDAC1HDAC3KCNH2HDAC2
SCHEMBL4577495 0.82 HDAC1 (0.65) HDAC1HDAC3KCNH2HDAC2
SCHEMBL4579411 0.82 HDAC1 (0.65) HDAC1HDAC3KCNH2HDAC2

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
US-20110130361-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS GRIMM JONATHAN 2011-06-02 US claimed
EP-2185554-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-05-19 EP claimed
WO-2009020589-A1 SILICON DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS MERCK & CO., INC. (US) 2009-02-12 WO 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 HDAC1 1/4885HDAC3 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.