SCHEMBL508657

SCHEMBL508657

O=C(OC1COc2nc([N+](=O)[O-])cn2C1)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.62
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
KCNH2 Q12809 4/20 0.46
KCNA5 P22460 1/20 0.39
CHRM4 P08173 2/20 0.38
ENPP2 Q13822 5/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.34

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
SCHEMBL508656 1.00 CHRM1 (0.62) CHRM1PTGS1SLC6A2SLC6A4KCNH2
SCHEMBL4888549 0.88 CHRM1 (0.67) CHRM1PTGS1SLC6A2SLC6A4KCNH2
SCHEMBL4891561 0.81 CHRM1 (0.61) CHRM1PTGS1SLC6A2SLC6A4KCNH2
SCHEMBL26698570 0.81 CHRM1 (0.76) CHRM1PTGS1SLC6A2SLC6A4KCNH2
SCHEMBL507802 0.78 CHRM1 (0.72) CHRM1PTGS1SLC6A2SLC6A4KCNH2
Pretomanid SCHEMBL2983011 0.77 CHRM1 (1.00) CHRM1PTGS1SLC6A2SLC6A4KCNH2
SCHEMBL13358956 0.77 CHRM1 (0.79) CHRM1PTGS1SLC6A2SLC6A4KCNH2
Pretomanid SCHEMBL14004006 0.77 CHRM1 (1.00) CHRM1PTGS1SLC6A2SLC6A4KCNH2
SCHEMBL4887369 0.77 CHRM1 (0.51) CHRM1ENPP2MAPTLMNAALDH1A1
SCHEMBL4887392 0.77 CHRM1 (0.51) CHRM1ENPP2MAPTLMNAALDH1A1

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 3 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-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 1375/4885PTGS1 1178/4885SLC6A2 2895/4885

“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.