SCHEMBL3328334

SCHEMBL3328334

O=C1O[C@@H](CNc2ccon2)CN1c1ccc(-c2ccc(C3=NOC(CO)C3)cc2F)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.61
CALML3 P27482 6/20 0.51
CYP2E1 P05181 1/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 2/20 0.45
MAOB P27338 2/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2D6 P10635 1/20 0.40

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
SCHEMBL13298882 0.96 MAOA (0.62) MAOACALML3CYP2E1CYP2C19CYP3A4
SCHEMBL3323187 0.86 MAOA (0.79) MAOACALML3CYP2E1CYP3A4MAOB
SCHEMBL3323189 0.86 MAOA (0.79) MAOACALML3CYP2E1CYP3A4MAOB
SCHEMBL3323196 0.86 MAOA (0.79) MAOACALML3CYP2E1CYP3A4MAOB
SCHEMBL4954265 0.84 MAOA (0.61) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL13298950 0.83 MAOA (0.60) MAOACALML3CYP2E1MAOB
SCHEMBL3328682 0.82 CALML3 (0.64) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL3331952 0.82 CALML3 (0.50) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL3331334 0.80 MAOA (0.61) MAOACALML3CYP2C19CYP3A4MAOB
SCHEMBL3328027 0.80 MAOA (0.57) MAOACALML3CYP2C19CYP3A4MAOB

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 6 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-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 482/4885CALML3 4624/4885CYP2E1 32/4885
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents CYP8B1, CYP2W1, HRH2 MAOA 800/4885CALML3 4637/4885CYP2E1 28/4885

“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.