SCHEMBL29954

SCHEMBL29954

CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1Cn1cc(-c2cccnc2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
NAMPT P43490 3/20 0.38
NCOR2 Q9Y618 1/20 0.38
HDAC4 P56524 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC10 Q969S8 3/20 0.37
HDAC11 Q96DB2 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC9 Q9UKV0 3/20 0.37
HDAC5 Q9UQL6 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KDR P35968 3/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 2/20 0.35
DPP4 P27487 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL15241285 0.91 DAGLB (0.38) HDAC3HDAC1HDAC2NAMPTNCOR2
SCHEMBL6899276 0.81 SRC (0.41) HDAC3HDAC1HDAC2NAMPTHDAC4
SCHEMBL6901946 0.74 KDR (0.43) HDAC3HDAC1HDAC2NAMPTHDAC4
SCHEMBL8833618 0.71 CHRNB2 (0.35) DPP4DRD2DRD3
SCHEMBL8435479 0.69 CYP3A4 (0.40) LMNA
SCHEMBL9521112 0.67 ABCB1 (0.38) LMNAPOLBL3MBTL1
SCHEMBL9465818 0.67 CYP19A1 (0.39) POLB
SCHEMBL8832886 0.67 PRKCA (0.34) NAMPTLMNA
SCHEMBL8832826 0.67 PRKCA (0.34) NAMPTLMNA
SCHEMBL8832821 0.67 PRKCA (0.34) NAMPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US 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 (2 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 4/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC3 3/4885HDAC1 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.