SCHEMBL319367

SCHEMBL319367

CC[Si](CC)(CC)OC1=C[C@@H](C)O[C@@H](c2ccncc2[N+](=O)[O-])[C@H]1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL14892092 0.78 HTT (0.32) MAPTGAAHTTMEN1KMT2A
SCHEMBL318117 0.78 HTT (0.32) MAPTGAAHTTMEN1KMT2A
SCHEMBL327657 0.73 ALDH1A1 (0.35) ALDH1A1MAPTCYP1A2CYP2C9GAA
SCHEMBL1910649 0.73 ALDH1A1 (0.35) ALDH1A1MAPTCYP1A2CYP2C9GAA
SCHEMBL318930 0.71 MEN1 (0.32) GAAHTTMEN1KMT2A
SCHEMBL319138 0.69 MEN1 (0.33) MEN1KMT2A
SCHEMBL319443 0.69 MEN1 (0.31) MEN1KMT2A
SCHEMBL319716 0.69 MEN1 (0.31) MEN1KMT2A
SCHEMBL1911105 0.69 ALDH1A1 (0.36) ALDH1A1MAPTCYP1A2CYP2C9GAA
SCHEMBL1911109 0.69 ALDH1A1 (0.36) ALDH1A1MAPTCYP1A2CYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 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-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B ALDH1A1 2437/4885MAPT 2904/4885CYP1A2 2355/4885

“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.