SCHEMBL13484667

SCHEMBL13484667

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(N4CCN(CC5(C)Cn6cc([N+](=O)[O-])nc6O5)CC4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.47
CALML3 P27482 4/20 0.46
PTGS1 P23219 3/20 0.46
MAOB P27338 2/20 0.46
SDHA P31040 2/20 0.46
LMNA P02545 1/20 0.46
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL3195362 1.00 MAOA (0.47) MAOACALML3PTGS1MAOBSDHA
SCHEMBL3196740 0.93 MAOA (0.45) MAOACALML3PTGS1MAOBSDHA
SCHEMBL3205705 0.93 MAOA (0.45) MAOACALML3PTGS1MAOBSDHA
SCHEMBL13484700 0.93 MAOA (0.44) MAOACALML3PTGS1MAOBSDHA
SCHEMBL3194061 0.93 MAOA (0.44) MAOACALML3PTGS1MAOBSDHA
SCHEMBL3198084 0.93 MAOA (0.45) MAOACALML3PTGS1MAOBSDHA
SCHEMBL3208644 0.93 MAOA (0.45) MAOACALML3PTGS1MAOBSDHA
SCHEMBL13648981 0.91 MAOB (0.56) MAOACALML3PTGS1MAOBSDHA
SCHEMBL3200345 0.91 MAOB (0.56) MAOACALML3PTGS1MAOBSDHA
SCHEMBL3193976 0.89 MAOA (0.49) MAOACALML3PTGS1MAOBSDHA

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-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 2050/4885CALML3 2605/4885PTGS1 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.