SCHEMBL14906115

SCHEMBL14906115

CC(=O)O[C@@H]1[C@@H](C2CC2)O[C@@H](c2ccncc2[N+](=O)[O-])C[C@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.30
HTT P42858 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
SCHEMBL14902734 0.90 MEN1 (0.33) MEN1KMT2AGAAHTT
SCHEMBL1910836 0.85 PIM1 (0.35) GAA
SCHEMBL1910835 0.85 PIM1 (0.35) GAA
SCHEMBL320517 0.80
SCHEMBL14902749 0.78 MEN1 (0.36) MEN1KMT2AGAAHTT
SCHEMBL14902747 0.78 MEN1 (0.36) MEN1KMT2AGAAHTT
SCHEMBL1910760 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL1910793 0.78 MEN1 (0.38) MEN1KMT2AHTT
SCHEMBL14902750 0.78 MEN1 (0.38) MEN1KMT2AGAAHTT
SCHEMBL14902748 0.75 MEN1 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 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 (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 MEN1 2862/4885KMT2A 691/4885LMNA 1799/4885

“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.