SCHEMBL319340

SCHEMBL319340

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
CACNA1G O43497 3/20 0.33
CACNA1H O95180 2/20 0.33
CACNA1I Q9P0X4 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
POLB P06746 3/20 0.31
USP2 O75604 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KDM1A O60341 2/20 0.30
EGFR P00533 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL1911093 1.00 ALDH1A1 (0.33) ALDH1A1HTTCACNA1GCACNA1HCACNA1I
SCHEMBL1911232 0.89 ALDH1A1 (0.34) ALDH1A1HTTCACNA1GCACNA1HCACNA1I
SCHEMBL1910829 0.84 ALDH1A1 (0.33) ALDH1A1HTTCACNA1GCACNA1HCACNA1I
SCHEMBL14902743 0.82 MEN1 (0.33) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL1911241 0.82 MEN1 (0.33) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL1911108 0.81 MEN1 (0.33) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL319630 0.81 MEN1 (0.33) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL1911089 0.81 MEN1 (0.33) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL10278769 0.80 MEN1 (0.33) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL10278570 0.80 ALDH1A1 (0.34) ALDH1A1HTTCACNA1GCACNA1HCACNA1I

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 3 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
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 4550/4885CACNA1G 4331/4885

“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.