SCHEMBL3198698

SCHEMBL3198698

CC(C)(C)[Si](C)(C)OCC1CN(c2ccc(-c3ccc(COC4COc5nc([N+](=O)[O-])cn5C4)cn3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.47
MAOA P21397 8/20 0.39
MAOB P27338 1/20 0.39
CALML3 P27482 5/20 0.36
GRM2 Q14416 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL3207153 0.92 CHRM1 (0.51) CHRM1MAOAMAOBCALML3CYP3A4
SCHEMBL3203113 0.92 CHRM1 (0.51) CHRM1MAOAMAOBCALML3CYP3A4
SCHEMBL13484646 0.90 CHRM1 (0.50) CHRM1MAOAMAOBCALML3CYP3A4
SCHEMBL3207109 0.90 CHRM1 (0.50) CHRM1MAOAMAOBCALML3CYP3A4
SCHEMBL3205921 0.87 MAOA (0.47) CHRM1MAOAMAOBCALML3
SCHEMBL3205925 0.87 MAOA (0.47) CHRM1MAOAMAOBCALML3
SCHEMBL3198710 0.86 CHRM1 (0.46) CHRM1MAOAMAOBCALML3GRM2
SCHEMBL3188385 0.85 CALML3 (0.41) CHRM1MAOAMAOBCALML3CYP3A4
SCHEMBL3197089 0.84 MAOA (0.43) MAOAMAOBCALML3CYP3A4CYP2C19
SCHEMBL3203213 0.82 CHRM1 (0.55) CHRM1MAOAMAOBCALML3CYP3A4

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 5 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
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.