SCHEMBL319829

SCHEMBL319829

CC(=O)OCC1COC(c2ccncc2[N+](=O)[O-])OC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
AGTR1 P30556 3/20 0.32
KDM4E B2RXH2 1/20 0.32
NLRP3 Q96P20 2/20 0.32
MAPT P10636 6/20 0.32
ALDH1A1 P00352 3/20 0.31
TBXAS1 P24557 1/20 0.31
PTGIS Q16647 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDE7A Q13946 1/20 0.30
RAB9A P51151 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
SCHEMBL319324 0.82 MEN1 (0.39) KMT2AMEN1HTTGAAMAPT
SCHEMBL319605 0.81 KDM4E (0.36) KMT2AMEN1GAAKDM4ENLRP3
SCHEMBL325128 0.75 MEN1 (0.44) KMT2AMEN1HTTGAAMAPT
SCHEMBL319114 0.73 KMT2A (0.46) KMT2AMEN1HTTGAAMAPT
SCHEMBL319398 0.70 KMT2A (0.36) KMT2AMEN1HTTGAAMAPT
SCHEMBL319540 0.69 KMT2A (0.45) KMT2AMEN1HTTGAAMAPT
SCHEMBL326145 0.68 LMNA (0.39) KMT2AMEN1ALDH1A1RAB9A
SCHEMBL319345 0.68 KMT2A (0.39) KMT2AMEN1HTTGAAMAPT
SCHEMBL319155 0.66 MEN1 (0.30) KMT2AMEN1
SCHEMBL319500 0.66 OPRK1 (0.32) KMT2AMEN1HTTGAA

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 KMT2A 691/4885MEN1 2862/4885HTT 4550/4885

“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.