SCHEMBL3328501

SCHEMBL3328501

O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)c(F)c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.79
CYP2D6 P10635 1/20 0.79
MAOA P21397 16/20 0.77
MAOB P27338 1/20 0.73
KCNH2 Q12809 1/20 0.64
CYP2C9 P11712 1/20 0.64

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
SCHEMBL3328495 1.00 CYP3A4 (0.79) CYP3A4CYP2D6MAOAMAOBKCNH2
SCHEMBL3328493 1.00 CYP3A4 (0.79) CYP3A4CYP2D6MAOAMAOBKCNH2
SCHEMBL11983302 0.90 MAOA (0.73) CYP3A4CYP2D6MAOAMAOBKCNH2
SCHEMBL6510342 0.90 MAOA (0.72) CYP3A4CYP2D6MAOAMAOBKCNH2
SCHEMBL21999062 0.90 MAOA (0.72) CYP3A4CYP2D6MAOAMAOBKCNH2
SCHEMBL16093347 0.90 MAOA (0.76) CYP3A4CYP2D6MAOAMAOBCYP2C9
SCHEMBL18787218 0.90 CYP3A4 (0.66) CYP3A4CYP2D6MAOAMAOBKCNH2
SCHEMBL18786461 0.90 CYP3A4 (0.66) CYP3A4CYP2D6MAOAMAOBKCNH2
SCHEMBL10261492 0.89 MAOA (0.81) CYP3A4CYP2D6MAOACYP2C9
SCHEMBL10197417 0.89 MAOA (0.81) CYP3A4CYP2D6MAOACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137243-A1 Oxazolidinone And/Or Isoxazoline As Antibacterial Agents ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137243-A1 Oxazolidinone And/Or Isoxazoline As Antibacterial Agents ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137243-A1 Oxazolidinone And/Or Isoxazoline As Antibacterial Agents ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-7396847-B2 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2008-07-08 US disclosed
US-7396847-B2 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2008-07-08 US disclosed
US-7396847-B2 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2008-07-08 US disclosed
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2005-05-19 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-20100137243-A1 Oxazolidinone And/Or Isoxazoline As Antibacterial Agents CYP8B1, HRH2, CYP2W1 CYP3A4 91/4885CYP2D6 92/4885MAOA 482/4885
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents CYP8B1, CYP2W1, HRH2 CYP3A4 59/4885CYP2D6 83/4885MAOA 800/4885

“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.