SCHEMBL1228539

SCHEMBL1228539

O=[N+]([O-])c1cn2c(n1)OC(COc1ccc(-c3ccc(F)cc3)cn1)CC2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
SOS1 Q07889 1/20 0.35
GRM5 P41594 2/20 0.34
GABRA5 P31644 4/20 0.33
CHRM1 P11229 1/20 0.33
HSPB1 P04792 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KDM1A O60341 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL1228774 0.90 KCNH2 (0.37) KCNH2CACNA1CSCN5ASOS1CHRM1
SCHEMBL1228554 0.89 KCNH2 (0.50) KCNH2SCN5ACHRM1PTGS1SLC6A2
SCHEMBL1227141 0.89 KCNH2 (0.44) KCNH2CACNA1CSCN5ASOS1CHRM1
SCHEMBL1227898 0.85 KCNH2 (0.36) KCNH2CHRM1PTGS1SLC6A2SLC6A4
Dndi-0690 SCHEMBL16364436 0.84 KCNH2 (0.39) KCNH2CACNA1CSCN5ASOS1CHRM1
Dndi-0690 SCHEMBL30083302 0.84 KCNH2 (0.39) KCNH2CACNA1CSCN5ASOS1CHRM1
Dndi-0690 SCHEMBL1227294 0.84 KCNH2 (0.39) KCNH2CACNA1CSCN5ASOS1CHRM1
SCHEMBL1228660 0.80 CHRM1 (0.44) KCNH2CACNA1CSCN5ASOS1GRM5
SCHEMBL1227785 0.79 CHRM1 (0.52) KCNH2SCN5ACHRM1PTGS1SLC6A2
SCHEMBL1228680 0.79 GRM2 (0.49) KCNH2CACNA1CSCN5ASOS1CHRM1

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 11 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 claimed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US claimed
EP-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
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-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
WO-2011014776-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 WO disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 US disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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 2847/4885CACNA1C 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.