SCHEMBL3208365

SCHEMBL3208365

CC(=O)NCC1CN(c2ccc(-c3ccc(OCC4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.50
PTGS1 P23219 3/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
MAOA P21397 5/20 0.48
CALML3 P27482 3/20 0.43
MAOB P27338 2/20 0.43
SDHA P31040 2/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL13484631 1.00 KCNH2 (0.50) KCNH2PTGS1SLC6A2SLC6A4MAOA
SCHEMBL13484632 0.93 MAOA (0.46) KCNH2PTGS1SLC6A2SLC6A4MAOA
SCHEMBL3204465 0.93 MAOA (0.46) KCNH2PTGS1SLC6A2SLC6A4MAOA
SCHEMBL3202008 0.93 MAOA (0.46) KCNH2PTGS1SLC6A2SLC6A4MAOA
SCHEMBL13484624 0.93 MAOA (0.46) KCNH2PTGS1SLC6A2SLC6A4MAOA
SCHEMBL13484625 0.92 PTGS1 (0.47) KCNH2PTGS1SLC6A2SLC6A4MAOA
SCHEMBL3193788 0.92 PTGS1 (0.47) KCNH2PTGS1SLC6A2SLC6A4MAOA
SCHEMBL13484633 0.92 PTGS1 (0.47) KCNH2PTGS1SLC6A2SLC6A4MAOA
SCHEMBL3185518 0.92 PTGS1 (0.47) KCNH2PTGS1SLC6A2SLC6A4MAOA
SCHEMBL3262904 0.92 MAOA (0.47) KCNH2PTGS1SLC6A2SLC6A4MAOA

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 8 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
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
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 KCNH2 3070/4885PTGS1 1717/4885SLC6A2 3358/4885

“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.