SCHEMBL325128

SCHEMBL325128

O=[N+]([O-])c1cnccc1C1OCCO1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.41
HTT P42858 6/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CHUK O15111 1/20 0.33
LMNA P02545 1/20 0.33
HIPK2 Q9H2X6 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
SCHEMBL319114 0.94 KMT2A (0.46) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL319324 0.82 MEN1 (0.39) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL319345 0.81 KMT2A (0.39) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL319060 0.79 MEN1 (0.39) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL793501 0.78 MEN1 (0.51) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL318829 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL319540 0.77 KMT2A (0.45) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL5486010 0.76 HTT (0.44) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL319829 0.75 KMT2A (0.34) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL320543 0.75 KMT2A (0.40) MEN1KMT2AALDH1A1HTTMAPT

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 5 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
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US 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.