SCHEMBL4920528

SCHEMBL4920528

O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](CN4CCOCC4)C3)nc2)c(F)c1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 18/20 0.69
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 1/20 0.62
MAOB P27338 1/20 0.60
CYP2C9 P11712 1/20 0.57

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
SCHEMBL4171269 1.00 MAOA (0.69) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL4919400 0.94 MAOA (0.65) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4919311 0.94 MAOA (0.61) MAOACYP3A4CYP2D6MAOBCYP2C9
SCHEMBL4918418 0.94 MAOA (0.65) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL5376024 0.93 MAOA (0.63) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4922865 0.93 MAOA (0.69) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4921462 0.93 MAOA (0.63) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4918700 0.92 MAOA (0.62) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4918710 0.92 MAOA (0.62) MAOACYP3A4CYP2D6CYP2C9
SCHEMBL4921678 0.91 MAOA (0.61) MAOACYP3A4CYP2D6CYP2C9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064689-A1 3-[4-(6-Pyridin-3-Yl)-3-Phenyl] -5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-03-13 US claimed
EP-1753756-A1 3-¬4-(6-{4,5-DIHYDROISOXAZOL-3-YL}PYRIDIN-3-YL)-3-PHENYL|-5-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-1,3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2007-02-21 EP claimed
WO-2005116021-A1 3-[4-(6-{4,5-DIHYDROISOXAZOL-3-YL}PYRIDIN-3-YL)-3-PHENYL]-5-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-1,3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 WO claimed
US-20080064689-A1 3-[4-(6-Pyridin-3-Yl)-3-Phenyl] -5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064689-A1 3-[4-(6-Pyridin-3-Yl)-3-Phenyl] -5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080064689-A1 3-[4-(6-Pyridin-3-Yl)-3-Phenyl] -5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-03-13 US disclosed
EP-1753756-A1 3-¬4-(6-{4,5-DIHYDROISOXAZOL-3-YL}PYRIDIN-3-YL)-3-PHENYL|-5-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-1,3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2007-02-21 EP disclosed
WO-2005116021-A1 3-[4-(6-{4,5-DIHYDROISOXAZOL-3-YL}PYRIDIN-3-YL)-3-PHENYL]-5-(1H-1,2,3-TRIAZOL-1-YLMETHYL)-1,3-OXAZOLIDIN-2-ONES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-12-08 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-20080064689-A1 3-[4-(6-Pyridin-3-Yl)-3-Phenyl] -5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents H1-3, H1-0, MRPL21 MAOA 2336/4885CYP3A4 420/4885CYP2D6 155/4885

“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.