SCHEMBL4493161

SCHEMBL4493161

CC1(C)OB(c2ccc(N3C(=O)OCC3Cn3ccnn3)cc2F)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 17/20 0.39
MAOB P27338 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4171617 0.80 MAOA (0.62) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5955468 0.80 MAOA (0.62) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL29644195 0.71 MIF (0.40) MAOAMAOB
SCHEMBL4492842 0.70 MAOA (0.33) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL6191702 0.69 MAOA (0.51) MAOACYP3A4CYP2D6
SCHEMBL4492846 0.69 MAOA (0.32) MAOAMAOBCYP3A4CYP2D6
SCHEMBL2501461 0.67 MAOA (0.38) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL2728537 0.67 SLC6A2 (0.39) CYP3A4CYP2D6KCNH2
SCHEMBL18658452 0.66 JAK2 (0.31)
SCHEMBL3206967 0.66 QPCT (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498350-B2 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2009-03-03 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-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
EP-1753754-A1 3- '4- {6-SUBSTITUTED ALKANOYL) 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
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
EP-1753755-A1 3- {4- (PYRIDIN-3-YL) 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
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
US-20060116386-A1 Oxazolidinones as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
WO-2005116022-A1 3- `4- {6-SUBSTITUTED ALKANOYL) 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
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
WO-2005116023-A1 3- {4- (PYRIDIN-3-YL) 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 (5 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 2336/4885MAOB 1929/4885CYP3A4 420/4885
US-20060116386-A1 Oxazolidinones as antibacterial agents MRPL21, MRPS23, DPP3 MAOA 279/4885MAOB 120/4885CYP3A4 1089/4885
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents NR0B2, NR0B1, HRH2 MAOA 293/4885MAOB 168/4885CYP3A4 372/4885
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents MRPL21, ARG1, OXA1L MAOA 1143/4885MAOB 1222/4885CYP3A4 269/4885
US-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents MRPL21, ARG1, OXA1L MAOA 936/4885MAOB 1022/4885CYP3A4 69/4885

“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.