SCHEMBL319114

SCHEMBL319114

O=[N+]([O-])c1cnccc1C1OCCCO1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 6/20 0.39
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
CHUK O15111 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.31

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
SCHEMBL325128 0.94 MEN1 (0.44) KMT2AMEN1HTTMAPTPOLB
SCHEMBL319324 0.79 MEN1 (0.39) KMT2AMEN1HTTMAPTPOLB
SCHEMBL319345 0.79 KMT2A (0.39) KMT2AMEN1HTTMAPTPOLB
SCHEMBL18555673 0.78 MEN1 (0.41) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL319060 0.76 MEN1 (0.39) KMT2AMEN1HTTMAPTPOLB
SCHEMBL793501 0.76 MEN1 (0.51) KMT2AMEN1HTTMAPTPOLB
SCHEMBL318829 0.75 MEN1 (0.40) KMT2AMEN1HTTMAPTPOLB
SCHEMBL319540 0.74 KMT2A (0.45) KMT2AMEN1HTTMAPTPOLB
SCHEMBL319829 0.73 KMT2A (0.34) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL14902617 0.72 MEN1 (0.38) KMT2AMEN1HTTMAPTPOLB

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 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.