SCHEMBL13263370

SCHEMBL13263370

O=C1O[C@@H](COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CN1c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.59
MAOA P21397 5/20 0.56
LMNA P02545 2/20 0.54
PTGS1 P23219 1/20 0.54
CALML3 P27482 1/20 0.54
SDHA P31040 1/20 0.54
F10 P00742 2/20 0.49
SLC6A9 P48067 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2464074 0.89 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL12317752 0.89 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14982833 0.84 MAOB (0.72) MAOBMAOALMNAPTGS1CALML3
SCHEMBL12126884 0.84 MAOB (0.72) MAOBMAOALMNAPTGS1CALML3
SCHEMBL8570379 0.83 ALDH1A1 (0.42) MAOBMAOALMNAPTGS1CALML3
SCHEMBL29006109 0.79 MAOB (0.69) MAOBMAOALMNAPTGS1CALML3
SCHEMBL29006111 0.79 MAOB (0.69) MAOBMAOALMNAPTGS1CALML3
SCHEMBL29418180 0.79 MAOB (0.69) MAOBMAOALMNAPTGS1CALML3
SCHEMBL19512263 0.79 MAOB (0.68) MAOBMAOALMNAPTGS1CALML3
SCHEMBL23699727 0.78 MAOB (0.69) MAOBMAOALMNAPTGS1CALML3

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
US-9586913-B2 Processes for the preparation of linezolid using novel intermediates SYMED LABS LIMITED (IN) 2017-03-07 US disclosed
US-9586913-B2 Processes for the preparation of linezolid using novel intermediates SYMED LABS LIMITED (IN) 2017-03-07 US disclosed
US-20160102064-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-04-14 US disclosed
US-20160102064-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2016-04-14 US disclosed
WO-2010084514-A2 A PROCESS FOR THE PREPARATION OF (5S)-(N)-[[3-[3-FLUORO-4-(4-MORPHOLINYL) PHENYL]-2-OXO-5-OXAZOLIDINYL] METHYL] ACETAMIDE NEULAND LABORATORIES LTD. (IN) 2010-07-29 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-20160102064-A1 IMPROVED PROCESSES FOR THE PREPARATION OF LINEZOLID USING NOVEL INTERMEDIATES CYP3A5, SBDS, MLYCD MAOB 951/4885MAOA 522/4885LMNA 1949/4885

“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.