SCHEMBL10278570

SCHEMBL10278570

C[C@]1(O)C(NCc2ccccc2)C[C@H](c2ccncc2[N+](=O)[O-])OC12CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HASPIN Q8TF76 1/20 0.32
THRB P10828 1/20 0.32
KDM1A O60341 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
GRIN2B Q13224 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
PRKCQ Q04759 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
SCHEMBL1911232 0.83 ALDH1A1 (0.34) ALDH1A1HTTGAAPOLBSMN1; SMN2
SCHEMBL1910829 0.81 ALDH1A1 (0.33) ALDH1A1HTTGAAPOLBSMN1; SMN2
SCHEMBL1911241 0.81 MEN1 (0.33) ALDH1A1HTTGAAPOLBSMN1; SMN2
SCHEMBL1910887 0.80 KDM4E (0.38) ALDH1A1HTTGAAPOLBSMN1; SMN2
SCHEMBL319340 0.80 ALDH1A1 (0.33) ALDH1A1HTTGAAPOLBSMN1; SMN2
SCHEMBL1911093 0.80 ALDH1A1 (0.33) ALDH1A1HTTGAAPOLBSMN1; SMN2
SCHEMBL10278769 0.79 MEN1 (0.33) ALDH1A1HTTGAAPOLBKMT2A
SCHEMBL319625 0.78 MEN1 (0.35) ALDH1A1HTTPOLBKMT2AMEN1
SCHEMBL1910640 0.74 ALDH1A1 (0.38) ALDH1A1HTTGAAPOLBKMT2A
SCHEMBL319117 0.74 ALDH1A1 (0.38) ALDH1A1HTTGAAPOLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 2437/4885HTT 4550/4885GAA 553/4885

“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.