SCHEMBL6040508

SCHEMBL6040508

O=C1O[C@@H](CNC(=S)C2CC2)CN1c1ccc(N2CCOCC2)c(F)c1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.81
MAOA P21397 4/20 0.75
LMNA P02545 1/20 0.75
PTGS1 P23219 1/20 0.75
CALML3 P27482 1/20 0.75
SDHA P31040 1/20 0.75
F10 P00742 9/20 0.68

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
SCHEMBL7156733 1.00 MAOB (0.81) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7528156 0.90 MAOB (0.75) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7943414 0.90 MAOB (0.75) MAOBMAOALMNAPTGS1CALML3
SCHEMBL18408932 0.90 MAOB (1.00) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6045171 0.89 MAOB (0.85) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6045165 0.89 MAOB (0.85) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6040411 0.89 MAOB (0.78) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6164223 0.89 MAOB (0.78) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6161322 0.89 MAOB (0.77) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6161321 0.89 MAOB (0.77) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality PHARMACIA & UPJOHN COMPANY 2002-02-07 US claimed
US-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality HESTER JACKSON B (US) 2001-11-15 US claimed
EP-1133493-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2001-09-19 EP claimed
US-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US claimed
WO-2000032599-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2000-06-08 WO claimed
US-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed
US-6537986-B2 With thiourea, thioamide, or dithiocarbamate functionality; (S)-N-(((3-(3-fluoro-4-morpholinyl)phenyl)-2-oxo-5 -oxazolidinyl)methyl)thioacetamide for example; treats multiple-resistant staphylococci PHARMACIA & UPJOHN COMPANY 2003-03-25 US disclosed
US-6342513-B1 THIOCARBONYLAMIDES ON OXAZO-, ISOOXAZOLE OR FURANONE RINGS FOR USE AS BACTERICIDES PHARMACIA AND UPJOHN COMPANY 2002-01-29 US disclosed
US-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US 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 (2 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-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 MAOB 2998/4885MAOA 3306/4885LMNA 4694/4885
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 MAOB 2998/4885MAOA 3306/4885LMNA 4694/4885

“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.