SCHEMBL13484686

SCHEMBL13484686

CC1(CN2CCCN(c3ncc(-c4ccc(N5C[C@H](CO)OC5=O)cc4F)cn3)CC2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.46
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP3A4 P08684 1/20 0.44
MAOA P21397 9/20 0.44
MAOB P27338 2/20 0.44
KCNH2 Q12809 2/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL3196658 1.00 CALML3 (0.46) CALML3CYP2C19CYP2C9CYP3A4MAOA
SCHEMBL3200368 0.99 CALML3 (0.46) CALML3CYP2C19CYP2C9CYP3A4MAOA
SCHEMBL13484663 0.99 CALML3 (0.46) CALML3CYP2C19CYP2C9CYP3A4MAOA
SCHEMBL13484689 0.93 CYP2C19 (0.46) CALML3CYP2C19CYP2C9CYP3A4MAOA
SCHEMBL3201146 0.93 CYP2C19 (0.46) CALML3CYP2C19CYP2C9CYP3A4MAOA
SCHEMBL3208644 0.91 MAOA (0.45) CALML3MAOAMAOBKCNH2CACNA1C
SCHEMBL3198084 0.91 MAOA (0.45) CALML3MAOAMAOBKCNH2CACNA1C
SCHEMBL3195556 0.90 PTGS1 (0.39) CALML3CYP2C19CYP2C9CYP3A4MAOA
SCHEMBL13484690 0.88 KCNH2 (0.43) CALML3MAOAMAOBKCNH2CACNA1C
SCHEMBL3210872 0.88 KCNH2 (0.43) CALML3MAOAMAOBKCNH2CACNA1C

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 6 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-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
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 CALML3 2605/4885CYP2C19 461/4885CYP2C9 613/4885

“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.