SCHEMBL6691779

SCHEMBL6691779

O=C(CO)NCC1CN(c2cccc(N3CCOC[C@@H]3F)c2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.49
MAOA P21397 2/20 0.49
LMNA P02545 1/20 0.49
PTGS1 P23219 1/20 0.49
CALML3 P27482 1/20 0.49
SDHA P31040 1/20 0.49
F10 P00742 16/20 0.47
ABCB11 O95342 1/20 0.45
F2 P00734 1/20 0.45
ST14 Q9Y5Y6 1/20 0.45

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
SCHEMBL7157296 1.00 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7157301 1.00 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27707418 0.90 MAOA (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27875818 0.90 MAOA (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL483916 0.90 MAOA (0.61) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7704124 0.87 MAOB (0.49) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6687204 0.87 F10 (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6687198 0.87 F10 (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6687197 0.87 F10 (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7790986 0.87 MAOB (0.53) 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
EP-1467734-A1 COTHERAPY WITH AN OXAZOLIDINONE AND A VITAMIN B PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP disclosed
US-20030171331-A1 The present invention describes a novel cotherapy of oxazolidinones and at least one vitamin selected from vitamin B2, vitamin B6, vitamin B12 and folic acid. PHARMACIA & UPJOHN COMPANY 2003-09-11 US disclosed
WO-2003063862-A1 COTHERAPY WITH AN OXAZOLIDINONE AND A VITAMIN B PHARMACIA & UPJOHN COMPANY (US) 2003-08-07 WO disclosed
US-6441188-B1 SUCH AS (S)-N-((3-(3-FLUORO-4-(1,1-DIOXOTHIAZOLIDIN-3-YL) PHENYL)-2-OXO-5-OXAZOLIDINYL)METHYL)ACETAMIDE N-OXIDE FOR TREATMENT OF MICROBIAL INFECTIONS PHARMACIA & UPJOHN COMPANY 2002-08-27 US disclosed
EP-1019385-A1 AMINOARYL OXAZOLIDINONE N-OXIDES PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
EP-0717738-B1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 1999-10-20 EP disclosed
WO-1997010223-A1 AMINOARYL OXAZOLIDINONE N-OXIDES PHARMACIA & UPJOHN COMPANY (US) 1997-03-20 WO disclosed
EP-0717738-A1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1996-06-26 EP disclosed
WO-1995007271-A1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS THE UPJOHN COMPANY (US) 1995-03-16 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-20030171331-A1 The present invention describes a novel cotherapy of oxazolidinones and at least one vitamin selected from vitamin B2, vitamin B6, vitamin B12 and folic acid. DHFR, MMAB, FOLR2 MAOB 13/4885MAOA 252/4885LMNA 4214/4885

“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.