SCHEMBL1227344

SCHEMBL1227344

CC(C)[Si](OCC1(C)CCn2cc([N+](=O)[O-])nc2O1)(C(C)C)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.61
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1228756 0.81 KCNH2 (0.62) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1228758 0.81 KCNH2 (0.62) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16364722 0.81 KCNH2 (0.62) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL30988920 0.80 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1228893 0.80 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1226572 0.80 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1228891 0.80 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL12902222 0.78 KCNH2 (0.60) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL1229419 0.78 KCNH2 (0.77) KCNH2PTGS1SLC6A2SLC6A4CACNA1C
SCHEMBL16364417 0.76 KCNH2 (0.72) KCNH2PTGS1SLC6A2SLC6A4CACNA1C

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-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES NOX5, NQO2, SIRT5 KCNH2 2847/4885PTGS1 2481/4885SLC6A2 2757/4885

“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.