SCHEMBL1931182

SCHEMBL1931182

C[Si]1(C)CCN(c2ccc(C(=O)Nc3cc(-c4cccs4)ccc3N)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.65
HDAC2 Q92769 9/20 0.64
HDAC3 O15379 5/20 0.64
HDAC4 P56524 2/20 0.63
HDAC7 Q8WUI4 2/20 0.63
HDAC10 Q969S8 2/20 0.63
HDAC11 Q96DB2 2/20 0.63
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC9 Q9UKV0 2/20 0.63
HDAC5 Q9UQL6 2/20 0.63
KCNH2 Q12809 1/20 0.57

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
SCHEMBL1067590 0.89 HDAC3 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4581954 0.89 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1931372 0.89 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4578417 0.88 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1068434 0.87 HDAC1 (0.71) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1930524 0.86 HDAC2 (0.82) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4578698 0.86 KCNH2 (0.75) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4579014 0.86 HDAC1 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1930628 0.86 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4579757 0.86 HDAC1 (0.64) HDAC1HDAC2HDAC3HDAC4HDAC7

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 1/4885HDAC2 3/4885HDAC3 10/4885

“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.