SCHEMBL3196907

SCHEMBL3196907

O=C1OC(CO)CN1c1ccc(-c2ccc(OC3COc4nc([N+](=O)[O-])cn4C3)nc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
MAOA P21397 4/20 0.39
MAOB P27338 3/20 0.39
CALML3 P27482 6/20 0.35
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP3A4 P08684 1/20 0.33
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
DGAT1 O75907 1/20 0.30
ADORA2A P29274 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL13484655 1.00 CHRM1 (0.40) CHRM1MAOAMAOBCALML3CYP2C19
SCHEMBL3195694 0.88 CALML3 (0.51) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL13484627 0.88 CALML3 (0.51) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL3195686 0.88 CALML3 (0.51) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL3195699 0.88 CALML3 (0.51) MAOAMAOBCALML3CYP2C19CYP2C9
SCHEMBL13616294 0.87 CALML3 (0.41) CHRM1MAOAMAOBCALML3CYP2C19
SCHEMBL3195213 0.87 CALML3 (0.41) CHRM1MAOAMAOBCALML3CYP2C19
SCHEMBL13484652 0.86 CHRM1 (0.46) CHRM1MAOAMAOBCALML3CYP2C19
SCHEMBL3206005 0.86 CHRM1 (0.46) CHRM1MAOAMAOBCALML3CYP2C19
SCHEMBL3195127 0.81 CALML3 (0.47) CHRM1MAOAMAOBCALML3CYP2C19

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 10 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 claimed
EP-2254892-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES Global Alliance For Tb Drug Development (US) 2010-12-01 EP claimed
US-7666864-B2 Bicyclic nitroimidazole-substituted phenyl oxazolidinones GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2010-02-23 US claimed
US-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-11-12 US claimed
WO-2009120789-A1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-10-01 WO claimed
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 CHRM1 4053/4885MAOA 2050/4885MAOB 1703/4885

“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.