SCHEMBL3188452

SCHEMBL3188452

C#CCOc1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.61
▸ MAOB P27338 3/20 0.61
▸ PTGS1 P23219 2/20 0.61
▸ SDHA P31040 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ CALML3 P27482 1/20 0.61
▸ F10 P00742 2/20 0.48

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
SCHEMBL12203135 0.85 MAOA (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL1668751 0.84 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4634173 0.84 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4634169 0.84 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7542478 0.83 MAOA (0.66) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3754092 0.83 MAOA (0.66) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4634029 0.83 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4634026 0.83 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL16701349 0.83 MAOA (0.74) MAOAMAOBPTGS1SDHALMNA
SCHEMBL16701350 0.83 MAOA (0.74) MAOAMAOBPTGS1SDHALMNA

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 1703/4885PTGS1 1717/4885

“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.

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