SCHEMBL1228893

SCHEMBL1228893

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.60
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 3/20 0.35
CHRM1 P11229 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL1226572 1.00 KCNH2 (0.60) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL1228891 1.00 KCNH2 (0.60) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL30988920 0.87 KCNH2 (0.60) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5545216 0.87 KCNH2 (0.58) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL1229290 0.87 KCNH2 (0.58) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL16364722 0.83 KCNH2 (0.62) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL1228758 0.83 KCNH2 (0.62) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL1228756 0.83 KCNH2 (0.62) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL1227344 0.80 KCNH2 (0.61) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL5544271 0.80 KCNH2 (0.56) KCNH2CACNA1CSCN5APTGS1SLC6A2

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
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
CN-102741259-A Nitroimidazooxazine and nitroimidazooxazole analogues and uses thereof GLOBAL ALLIANCE FOR TB DRUG DEV 2012-10-17 CN 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 2847/4885CACNA1C 3144/4885SCN5A 1009/4885

“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.