SCHEMBL3208700

SCHEMBL3208700

CC(O)(CN1CCN(c2ccc(N3CC(CO)OC3=O)cc2F)CC1)Cn1cc([N+](=O)[O-])nc1Br

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.42
MAOA P21397 7/20 0.42
CALML3 P27482 5/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41
KCNH2 Q12809 1/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3185497 0.91 MAOA (0.56) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3210872 0.76 KCNH2 (0.43) MAOBMAOACALML3LMNAPTGS1
SCHEMBL13484690 0.76 KCNH2 (0.43) MAOBMAOACALML3LMNAPTGS1
SCHEMBL3193539 0.74 MAOA (0.58) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5808176 0.72 MAOB (0.51) MAOBMAOACALML3LMNAPTGS1
SCHEMBL29196830 0.71 CALML3 (0.55) MAOBMAOACALML3LMNAPTGS1
SCHEMBL29196827 0.71 CALML3 (0.55) MAOBMAOACALML3LMNAPTGS1
SCHEMBL28109794 0.71 CALML3 (0.65) MAOBMAOACALML3LMNAPTGS1
SCHEMBL13484675 0.71 CALML3 (0.36) MAOBMAOACALML3CYP2C19CYP3A4
SCHEMBL3196867 0.71 CALML3 (0.36) MAOBMAOACALML3CYP2C19CYP3A4

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 MAOB 1703/4885MAOA 2050/4885CALML3 2605/4885

“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.