SCHEMBL508465

SCHEMBL508465

O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(Br)c(F)c1)C2

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.66
DRD4 P21917 8/20 0.33
SIGMAR1 Q99720 7/20 0.33
KCNH2 Q12809 5/20 0.33
TMEM97 Q5BJF2 3/20 0.32
DRD3 P35462 1/20 0.32
SOS1 Q07889 1/20 0.32
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL3195797 0.92 CHRM1 (0.66) CHRM1DRD4SIGMAR1KCNH2TMEM97
SCHEMBL3195790 0.92 CHRM1 (0.66) CHRM1DRD4SIGMAR1KCNH2TMEM97
SCHEMBL509156 0.86 CHRM1 (0.73) CHRM1DRD4SIGMAR1KCNH2SOS1
SCHEMBL3194998 0.86 CHRM1 (0.73) CHRM1DRD4SIGMAR1KCNH2SOS1
SCHEMBL3195648 0.84 CHRM1 (0.63) CHRM1KCNH2
SCHEMBL3195654 0.84 CHRM1 (0.63) CHRM1KCNH2
SCHEMBL3187186 0.83 CHRM1 (0.62) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL3187199 0.83 CHRM1 (0.62) CHRM1KCNH2PTGS1SLC6A2SLC6A4
SCHEMBL508905 0.83 CHRM1 (0.58) CHRM1KCNH2
SCHEMBL3198490 0.83 CHRM1 (0.58) CHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 1375/4885DRD4 1116/4885SIGMAR1 1055/4885

“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.