SCHEMBL3187342

SCHEMBL3187342

CC(=O)[C@@H](N)C1CN(c2ccc(Oc3ccc(COS(C)(=O)=O)cn3)c(F)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.33
CALML3 P27482 5/20 0.33
MAOB P27338 3/20 0.33
P2RX3 P56373 1/20 0.33
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.32
SDHA P31040 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL3187351 0.84 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3207194 0.84 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3202973 0.72 MAOA (0.55) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3195965 0.72 MAOA (0.55) MAOACALML3MAOBLMNAPTGS1
SCHEMBL15507011 0.70 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL701776 0.68 SMN1; SMN2 (0.37) CYP2C19
SCHEMBL27820775 0.68 CALML3 (0.43) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL3093368 0.68 MAOA (0.56) MAOACALML3MAOBCYP3A4CYP2C19
SCHEMBL3202114 0.67 MAOA (0.55) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3195464 0.67 MAOA (0.55) MAOACALML3MAOBLMNAPTGS1

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 MAOA 2050/4885CALML3 2605/4885MAOB 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.