SCHEMBL6900607

SCHEMBL6900607

CC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1CC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
GRIN2B Q13224 4/20 0.35
GRIN1 Q05586 2/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RBP4 P02753 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
RIPK1 Q13546 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 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 0.92 GRIN2B (0.35) MEN1KMT2AGRIN2BGRIN1ALDH1A1
SCHEMBL6900604 0.92 GRIN2B (0.35) MEN1KMT2AGRIN2BGRIN1ALDH1A1
SCHEMBL15235879 0.86 GRIN1 (0.31) MEN1KMT2AGRIN2BGRIN1ALDH1A1
SCHEMBL6897245 0.85 GRIN2B (0.35) MEN1KMT2AGRIN2BGRIN1ALDH1A1
SCHEMBL6899921 0.84 KMT2A (0.39) MEN1KMT2AGRIN2BGRIN1ALDH1A1
SCHEMBL15235877 0.83 KMT2A (0.34) MEN1KMT2AGRIN2BGRIN1ALDH1A1
SCHEMBL6899276 0.78 SRC (0.41) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL15235878 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1440297 0.73 SIGMAR1 (0.42) MAPT
SCHEMBL1440293 0.73 SIGMAR1 (0.42) MAPT

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 MEN1 1407/4885KMT2A 132/4885GRIN2B 364/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 MEN1 1566/4885KMT2A 119/4885GRIN2B 453/4885

“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.