SCHEMBL3188571

SCHEMBL3188571

C=C(COC1COc2nc([N+](=O)[O-])cn2C1)c1ccc(N2CC(CNC(C)=O)OC2=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.46
MAOB P27338 2/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
TOP2B Q02880 1/20 0.42
CHRM1 P11229 1/20 0.42
F10 P00742 2/20 0.40

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
SCHEMBL3197084 1.00 MAOA (0.46) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3426925 0.94 MAOA (0.41) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL13484638 0.93 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3196303 0.93 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3205854 0.86 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3202397 0.86 MAOB (0.55) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3197504 0.86 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3431898 0.86 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3197509 0.86 MAOA (0.50) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL3209760 0.85 CHRM1 (0.49) MAOAMAOBLMNAPTGS1CALML3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254892-B1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-04-23 EP disclosed
EP-2254892-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES Global Alliance For Tb Drug Development (US) 2010-12-01 EP disclosed
US-7666864-B2 Bicyclic nitroimidazole-substituted phenyl oxazolidinones GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2010-02-23 US disclosed
US-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-11-12 US disclosed
WO-2009120789-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-10-01 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-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES O60361, OXA1L, TBCD MAOA 2050/4885MAOB 1703/4885LMNA 2867/4885

“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.