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SCHEMBL211395

SCHEMBL211395

COC(=O)C=Cc1ccc(CN(CCO[Si](C)(C)C(C)(C)C)CCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 12/20 0.61
▸ KCNH2 Q12809 5/20 0.61
▸ HDAC3 O15379 8/20 0.59
▸ HDAC4 P56524 8/20 0.59
▸ HDAC7 Q8WUI4 8/20 0.59
▸ HDAC2 Q92769 8/20 0.59
▸ HDAC10 Q969S8 8/20 0.59
▸ HDAC11 Q96DB2 8/20 0.59
▸ HDAC8 Q9BY41 8/20 0.59
▸ HDAC6 Q9UBN7 8/20 0.59
▸ HDAC9 Q9UKV0 8/20 0.59
▸ HDAC5 Q9UQL6 8/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ NAMPT P43490 6/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL211394 1.00 HDAC1 (0.61) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL4209044 0.92 HDAC1 (0.73) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL4209055 0.92 HDAC1 (0.73) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL211458 0.92 HDAC1 (0.60) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL211459 0.92 HDAC1 (0.60) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL13529796 0.90 HDAC1 (0.48) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL13970536 0.87 HDAC1 (0.53) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL209583 0.86 HDAC1 (0.58) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL209584 0.86 HDAC1 (0.58) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL12660519 0.85 HDAC1 (0.79) HDAC1KCNH2HDAC3HDAC4HDAC7

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735319-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2017-05-03 — — EP disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 — — US disclosed
US-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2009-07-30 — — US disclosed
US-20090012066-A1 Method of Use of Deacetylase Inhibitors NOVARTIS AG 2009-01-08 — — US disclosed
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2008-09-18 — — US disclosed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 — — US disclosed
US-7402603-B2 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2008-07-22 — — US disclosed
EP-1870399-A1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2007-12-26 — — EP disclosed
EP-1318980-B1 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2007-10-31 — — EP disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 — — US disclosed
EP-1443967-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION Novartis AG (CH) 2004-08-11 — — EP disclosed
US-20040067540-A1 Rapid method for screening compounds for in vivo activity LASSOTA PIOTR (US) 2004-04-08 — — US disclosed
US-20040024067-A1 Deacetylase inhibitors ATHYRIUM OPPORTUNITIES III ACQUISITION LP 2004-02-05 — — US disclosed
EP-1364206-A2 RAPID METHOD FOR SCREENING COMPOUNDS FOR IN VIVO ACTIVITY Novartis AG (CH) 2003-11-26 — — EP disclosed
EP-1318980-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2003-06-18 — — EP disclosed
WO-2003039599-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION NOVARTIS AG (CH) 2003-05-15 — — WO disclosed
US-6552065-B2 Antiproliferative agents NOVARTIS AG (CH) 2003-04-22 — — US disclosed
US-20030018062-A1 Deacetylase inhibitors SECURA BIO, INC. 2003-01-23 — — US disclosed
WO-2002055742-A2 RAPID METHOD FOR SCREENING COMPOUNDS FOR IN VIVO ACTIVITY NOVARTIS AG (CH) 2002-07-18 — — WO disclosed
WO-2002022577-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2002-03-21 — — 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 (7 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-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 HDAC1 3/4885KCNH2 4396/4885HDAC3 5/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885KCNH2 4286/4885HDAC3 4/4885
US-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 HDAC1 1/4885KCNH2 4577/4885HDAC3 2/4885
US-20040024067-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885KCNH2 4577/4885HDAC3 2/4885
US-20090012066-A1 Method of Use of Deacetylase Inhibitors HDAC3, HDAC5, HDAC1 HDAC1 3/4885KCNH2 2831/4885HDAC3 1/4885
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 HDAC1 3/4885KCNH2 4396/4885HDAC3 5/4885
US-20030018062-A1 Deacetylase inhibitors HDAC1, HDAC3, HDAC6 HDAC1 1/4885KCNH2 4577/4885HDAC3 2/4885

“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.