SCHEMBL508122

SCHEMBL508122

O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(OC(F)(F)F)cc3)cn1)C2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.76
KCNH2 Q12809 5/20 0.48
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
GRM2 Q14416 1/20 0.32
SCN5A Q14524 4/20 0.32
ABL1 P00519 4/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SCN1A P35498 1/20 0.31
SCN4A P35499 1/20 0.31
SCN9A Q15858 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 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
SCHEMBL508462 0.91 CHRM1 (0.75) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508066 0.89 CHRM1 (0.94) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508717 0.87 CHRM1 (0.80) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL14004006 0.86 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Pretomanid SCHEMBL2983011 0.86 CHRM1 (1.00) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Tba-354 SCHEMBL29422222 0.86 CHRM1 (0.81) CHRM1KCNH2PTGS1SLC6A2SLC6A4
Tba-354 SCHEMBL508426 0.86 CHRM1 (0.81) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508172 0.86 CHRM1 (0.72) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508022 0.85 CHRM1 (0.73) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL13358956 0.85 CHRM1 (0.79) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US claimed
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
US-9198913-B2 Nitroimidazooxazines and their uses in anti-tubercular therapy GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2015-12-01 US disclosed
EP-2459571-B1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2015-03-11 EP disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
US-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-02-02 US disclosed
WO-2011014774-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 WO 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-20120028973-A1 NITROIMIDAZOOXAZINES AND THEIR USES IN ANTI-TUBERCULAR THERAPY NOX5, MT-ND5, NQO1 CHRM1 1375/4885KCNH2 3157/4885PTGS1 1178/4885

“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.