SCHEMBL319324

SCHEMBL319324

O=[N+]([O-])c1cnccc1C1OCC(CO)CO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.35
HTT P42858 5/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32
TBXAS1 P24557 1/20 0.32
PTGIS Q16647 1/20 0.32
HIPK2 Q9H2X6 1/20 0.30
GSTP1 P09211 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
SCHEMBL319829 0.82 KMT2A (0.34) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL325128 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL319114 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL319345 0.79 KMT2A (0.39) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL319540 0.75 KMT2A (0.45) MEN1KMT2AALDH1A1HTTRAB9A
Methane SCHEMBL17100962 0.71 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1MAPT
SCHEMBL793501 0.70 MEN1 (0.51) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL15625144 0.70 PIM1 (0.40) MEN1KMT2AALDH1A1HTTPOLB
SCHEMBL15625086 0.70 PIM1 (0.40) MEN1KMT2AALDH1A1HTTPOLB
SCHEMBL15609484 0.70 PIM1 (0.40) MEN1KMT2AALDH1A1HTTPOLB

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 6 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
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.