SCHEMBL4121923

SCHEMBL4121923

NCCN1C(=O)COc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
KMO O15229 1/20 0.45
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
TERT O14746 1/20 0.41
ALDH1A1 P00352 2/20 0.39
PLK1 P53350 1/20 0.39
POLB P06746 4/20 0.39
APEX1 P27695 1/20 0.39
CASP6 P55212 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL8151721 0.85 CHRM2 (0.48) KCNH2SLC5A1SLC5A2KMOHTT
SCHEMBL10127980 0.85 KCNH2 (0.47) KCNH2SLC5A1SLC5A2KMOHTT
SCHEMBL10374449 0.84 SLC5A1 (0.50) KCNH2SLC5A1SLC5A2KMOHTT
SCHEMBL10374403 0.84 SLC5A1 (0.48) KCNH2SLC5A1SLC5A2KMOHTT
SCHEMBL13657565 0.84 KCNH2 (0.49) KCNH2SLC5A1SLC5A2KMOHTT
SCHEMBL4118904 0.83 KCNH2 (0.48) KCNH2SLC5A1SLC5A2KMOHTT
SCHEMBL56016 0.82 REN (0.52) KCNH2SLC5A1SLC5A2KMOTSHR
SCHEMBL708100 0.82 KCNH2 (0.60) KCNH2SLC5A1SLC5A2KMOMEN1
SCHEMBL8264336 0.81 TSHR (0.51) KCNH2SLC5A1SLC5A2KMOTSHR
SCHEMBL10374375 0.81 SLC5A1 (0.46) KCNH2SLC5A1SLC5A2KMOHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009126527-A1 2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE DERIVATIVES FOR USE AS STEAROYL COA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2009-10-15 WO disclosed
US-20090253693-A1 2H-BENZO[b][1,4]OXAZIN-3(4H)-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. 2009-10-08 US disclosed
US-20090253693-A1 2H-BENZO[b][1,4]OXAZIN-3(4H)-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. 2009-10-08 US disclosed
US-20090253693-A1 2H-BENZO[b][1,4]OXAZIN-3(4H)-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. 2009-10-08 US 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-20090253693-A1 2H-BENZO[b][1,4]OXAZIN-3(4H)-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FASN KCNH2 3669/4885SLC5A1 441/4885SLC5A2 527/4885

“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.