SCHEMBL1228563

SCHEMBL1228563

O=[N+]([O-])c1cn2c(n1)OCC(COCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.71
KCNH2 Q12809 4/20 0.47
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
GRM2 Q14416 2/20 0.36
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
S1PR5 Q9H228 1/20 0.33
SCN9A Q15858 1/20 0.33
PGR P06401 1/20 0.33
TXNRD1 Q16881 1/20 0.32
NAAA Q02083 1/20 0.31
PSD A5PKW4 1/20 0.31
ENPP2 Q13822 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
DRD4 P21917 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
SCHEMBL1227790 0.97 CHRM1 (0.75) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1226529 0.92 CHRM1 (0.61) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1228754 0.89 CHRM1 (0.65) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1229258 0.87 CHRM1 (0.60) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508066 0.86 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1227767 0.86 CHRM1 (0.68) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1227110 0.86 CHRM1 (0.68) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1229184 0.86 CHRM1 (0.68) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL1228038 0.84 CHRM1 (0.59) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL14004006 0.83 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4

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 12 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
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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 CHRM1 1308/4885KCNH2 2847/4885PTGS1 2481/4885

“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.