SCHEMBL12901772

SCHEMBL12901772

C[C@@H]1CCn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
CHRM1 P11229 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 1/20 0.35
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
SOS1 Q07889 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
SCHEMBL5544495 0.85 CHRM1 (0.41) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL14642152 0.85 CHRM1 (0.41) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL12518973 0.82 KCNH2 (0.39) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL29256789 0.82 KCNH2 (0.37) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL14004048 0.82 KCNH2 (0.39) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL12519017 0.81 KCNH2 (0.38) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL30988930 0.79 KCNH2 (0.37) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL1228993 0.79 CHRM1 (0.38) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL12519219 0.79 KCNH2 (0.35) KCNH2CHRM1ALDH1A1PTGS1SLC6A2
SCHEMBL30988934 0.79 KCNH2 (0.35) KCNH2CHRM1ALDH1A1PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2847/4885CHRM1 1308/4885ALDH1A1 2444/4885

“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.