SCHEMBL508456

SCHEMBL508456

O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(Cl)nc1)C2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.66
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 4/20 0.33
DCTPP1 Q9H773 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
SOS1 Q07889 1/20 0.33
CASP6 P55212 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL3198297 0.88 CHRM1 (0.66) CHRM1KCNH2SOS1
SCHEMBL508357 0.88 CHRM1 (0.66) CHRM1KCNH2SOS1
SCHEMBL3187077 0.85 CHRM1 (0.73) CHRM1KCNH2SOS1
SCHEMBL3187069 0.85 CHRM1 (0.73) CHRM1KCNH2SOS1
SCHEMBL508057 0.85 CHRM1 (0.62) CHRM1KCNH2
SCHEMBL508397 0.85 CHRM1 (0.56) CHRM1KCNH2
SCHEMBL509156 0.83 CHRM1 (0.73) CHRM1ALDH1A1SMN1; SMN2KCNH2MAPT
SCHEMBL508705 0.83 CHRM1 (0.73) CHRM1KCNH2SOS1
SCHEMBL3194998 0.83 CHRM1 (0.73) CHRM1ALDH1A1SMN1; SMN2KCNH2MAPT
SCHEMBL508058 0.83 CHRM1 (0.62) CHRM1KCNH2GRM2SOS1

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 1375/4885ALDH1A1 1870/4885SMN1; SMN2 4386/4885

“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.