SCHEMBL319625

SCHEMBL319625

O=[N+]([O-])c1cnccc1[C@H]1C[C@@H](NCc2ccccc2)[C@@]2(O)CCCC[C@H]2O1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
HTT P42858 1/20 0.32
PRKCQ Q04759 1/20 0.32
PKM P14618 1/20 0.31
THRB P10828 1/20 0.31
KDM1A O60341 1/20 0.31
GRIN2B Q13224 1/20 0.31
POLB P06746 2/20 0.31
SIGMAR1 Q99720 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
SCHEMBL10278769 0.97 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL1911125 0.81 MEN1 (0.39) MEN1KMT2A
SCHEMBL1911232 0.81 ALDH1A1 (0.34) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL1911241 0.80 MEN1 (0.33) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL14902746 0.80 MEN1 (0.38) MEN1KMT2A
SCHEMBL1910829 0.79 ALDH1A1 (0.33) MEN1KMT2AALDH1A1HTTPRKCQ
SCHEMBL319340 0.79 ALDH1A1 (0.33) MEN1KMT2AALDH1A1HTTTHRB
SCHEMBL1911093 0.79 ALDH1A1 (0.33) MEN1KMT2AALDH1A1HTTTHRB
SCHEMBL10278570 0.78 ALDH1A1 (0.34) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL1910714 0.78 MEN1 (0.37) MEN1KMT2AALDH1A1HTT

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 MEN1 2862/4885KMT2A 691/4885ALDH1A1 2437/4885

“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.