SCHEMBL6900604

SCHEMBL6900604

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](CO)N(CC(=O)c2ccccc2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.35
GRIN1 Q05586 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CYP2D6 P10635 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6900577 1.00 GRIN2B (0.35) GRIN2BGRIN1ALDH1A1KDM4EMEN1
SCHEMBL6900607 0.92 MEN1 (0.36) GRIN2BGRIN1ALDH1A1KDM4EMEN1
SCHEMBL15235879 0.85 GRIN1 (0.31) GRIN2BGRIN1ALDH1A1KDM4EMEN1
SCHEMBL6897245 0.84 GRIN2B (0.35) GRIN2BGRIN1ALDH1A1KDM4EMEN1
SCHEMBL6899921 0.83 KMT2A (0.39) GRIN2BGRIN1ALDH1A1KDM4EMEN1
SCHEMBL15235877 0.82 KMT2A (0.34) GRIN2BGRIN1ALDH1A1KDM4EMEN1
SCHEMBL18387532 0.81 SIGMAR1 (0.42)
SCHEMBL1440297 0.81 SIGMAR1 (0.42)
SCHEMBL1440293 0.81 SIGMAR1 (0.42)
SCHEMBL31309170 0.81 SIGMAR1 (0.42)

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 2 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
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 GRIN2B 364/4885GRIN1 150/4885ALDH1A1 137/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 GRIN2B 453/4885GRIN1 157/4885ALDH1A1 137/4885

“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.