SCHEMBL10054922

SCHEMBL10054922

O=[N+]([O-])c1cn2c(n1)CC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.51
NAAA Q02083 3/20 0.38
CTSK P43235 1/20 0.38
NTRK1 P04629 1/20 0.34
PDE2A O00408 1/20 0.34
SCN3A Q9NY46 1/20 0.34
GRM2 Q14416 3/20 0.34
P2RX7 Q99572 2/20 0.34
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 3/20 0.33
KIT P10721 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
DRD4 P21917 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL10054923 0.88 CHRM1 (0.65) CHRM1NAAASCN3AGRM2PTGS1
SCHEMBL508015 0.84 CHRM1 (0.73) CHRM1NAAACTSKNTRK1GRM2
SCHEMBL10054921 0.82 CHRM1 (0.58) CHRM1GRM2PTGS1SLC6A2SLC6A4
SCHEMBL508760 0.75 CHRM1 (0.65) CHRM1NAAACTSKNTRK1GRM2
SCHEMBL508070 0.73 CHRM1 (0.60) CHRM1NAAACTSKGRM2PTGS1
SCHEMBL509782 0.73 CHRM1 (0.60) CHRM1NAAACTSKGRM2PTGS1
SCHEMBL508066 0.71 CHRM1 (0.94) CHRM1NAAASCN3AGRM2PTGS1
SCHEMBL508022 0.69 CHRM1 (0.73) CHRM1NAAACTSKGRM2PTGS1
SCHEMBL508569 0.68 CHRM1 (0.64) CHRM1SCN3AGRM2PTGS1SLC6A2
SCHEMBL507656 0.68 CHRM1 (0.81) CHRM1GRM2PTGS1SLC6A2SLC6A4

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 4 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
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 1375/4885NAAA 703/4885CTSK 2670/4885

“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.