SCHEMBL3328025

SCHEMBL3328025

O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NOC(Cn4ccnn4)C3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 16/20 0.55
MAOB P27338 1/20 0.55
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 1/20 0.53
KCNH2 Q12809 1/20 0.49
CYP2C9 P11712 1/20 0.46

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
SCHEMBL3326296 0.94 MAOA (0.56) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3327300 0.88 MAOA (0.49) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3328646 0.84 MAOA (0.72) MAOAMAOBCYP3A4CYP2D6CYP2C9
SCHEMBL3327984 0.84 MAOA (0.65) MAOAMAOBCYP3A4CYP2D6CYP2C9
SCHEMBL3325938 0.84 MAOA (0.52) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL3323529 0.82 MAOA (0.69) MAOAMAOBCYP3A4CYP2D6CYP2C9
SCHEMBL3326672 0.81 MAOA (0.61) MAOAMAOBCYP3A4CYP2D6
SCHEMBL4923970 0.80 CYP3A4 (0.75) MAOAMAOBCYP3A4CYP2D6CYP2C9
SCHEMBL3325038 0.80 MAOA (0.60) MAOAMAOBCYP3A4CYP2D6KCNH2
SCHEMBL5930549 0.79 MAOA (0.70) 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 5 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-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 MAOA 482/4885MAOB 192/4885CYP3A4 91/4885
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents CYP8B1, CYP2W1, HRH2 MAOA 800/4885MAOB 328/4885CYP3A4 59/4885

“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.