SCHEMBL318319

SCHEMBL318319

O=C(c1ccncc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 2/20 0.39
NCOA1 Q15788 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPD P32754 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL11718666 0.81 TDP1 (0.49) HTTALDH1A1RAB9AMAPTKMT2A
SCHEMBL4444121 0.80 KDM4C (0.52) HTTALDH1A1RAB9AMAPTKMT2A
SCHEMBL1231890 0.80 KDM4C (0.52) HTTALDH1A1RAB9AMAPTKMT2A
SCHEMBL12672297 0.78 HTT (0.45) HTTALDH1A1RAB9AMAPTKMT2A
SCHEMBL4891399 0.76 ALDH1A1 (0.58) HTTALDH1A1MAPTKMT2ACYP1A2
SCHEMBL30370880 0.76 ALDH1A1 (0.58) HTTALDH1A1MAPTKMT2ACYP1A2
SCHEMBL2747914 0.74 ALDH1A1 (0.57) HTTALDH1A1RAB9AMAPTKMT2A
SCHEMBL1229622 0.74 HTT (0.49) HTTALDH1A1RAB9AMAPTGAA
SCHEMBL11722037 0.74 KMT2A (0.47) HTTALDH1A1RAB9AMAPTKMT2A
SCHEMBL12672298 0.74 GSK3B (0.44) HTTALDH1A1RAB9AMAPTKMT2A

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 5 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
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 HTT 4550/4885ALDH1A1 2437/4885RAB9A 2542/4885

“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.