SCHEMBL13616298

SCHEMBL13616298

O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nc2)c(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
MAOA P21397 6/20 0.40
CALML3 P27482 6/20 0.39
MAOB P27338 2/20 0.38
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP3A4 P08684 1/20 0.37
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 2/20 0.33
CETP P11597 3/20 0.33

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
SCHEMBL3188540 1.00 CHRM1 (0.52) CHRM1MAOACALML3MAOBCYP2C19
SCHEMBL3194183 0.90 CALML3 (0.50) CHRM1MAOACALML3MAOBCYP2C19
SCHEMBL13484649 0.90 CALML3 (0.50) CHRM1MAOACALML3MAOBCYP2C19
SCHEMBL13484652 0.89 CHRM1 (0.46) CHRM1MAOACALML3MAOBCYP2C19
SCHEMBL3206005 0.89 CHRM1 (0.46) CHRM1MAOACALML3MAOBCYP2C19
SCHEMBL3205880 0.83 MAOA (0.48) MAOACALML3MAOBCYP2C19CYP3A4
SCHEMBL3205876 0.83 MAOA (0.48) MAOACALML3MAOBCYP2C19CYP3A4
SCHEMBL3203213 0.83 CHRM1 (0.55) CHRM1MAOACALML3MAOBCYP2C19
SCHEMBL3203222 0.83 CHRM1 (0.55) CHRM1MAOACALML3MAOBCYP2C19
SCHEMBL3203219 0.83 CHRM1 (0.55) CHRM1MAOACALML3MAOBCYP2C19

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
EP-2254892-B1 BICYCLIC NITROIMIDAZOLES COVALENTLY LINKED TO SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-04-23 EP disclosed
US-20090281088-A1 BICYCLIC NITROIMIDAZOLE-SUBSTITUTED PHENYL OXAZOLIDINONES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2009-11-12 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 2050/4885CALML3 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.