SCHEMBL326145

SCHEMBL326145

O=[N+]([O-])c1cnccc1[C@H]1OC[C@H](COCc2ccccc2)O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
CYP19A1 P11511 2/20 0.35
PIN1 Q13526 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
NT5E P21589 1/20 0.34
PREP P48147 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL1910604 0.82 TAAR1 (0.43) LMNAHRH4HRH3CYP11B1CYP11B2
SCHEMBL319345 0.71 KMT2A (0.39) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL319324 0.69 MEN1 (0.39) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL325128 0.69 MEN1 (0.44) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL14891812 0.69 MEN1 (0.33) MEN1KMT2A
SCHEMBL306297 0.69 LMNA (0.57) LMNAHRH4HRH3ALDH1A1TAAR1
SCHEMBL715660 0.69 LMNA (0.57) LMNAHRH4HRH3ALDH1A1TAAR1
SCHEMBL153049 0.69 LMNA (0.57) LMNAHRH4HRH3ALDH1A1TAAR1
SCHEMBL319829 0.68 KMT2A (0.34) ALDH1A1MEN1KMT2ARAB9A
Formaldehyde SCHEMBL28169267 0.68 LMNA (0.56) LMNAHRH4HRH3TAAR1MEN1

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 LMNA 1799/4885HRH4 4297/4885HRH3 3473/4885

“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.