SCHEMBL3328682

SCHEMBL3328682

O=C1O[C@@H](CO)CN1c1ccc(-c2ccc(C3=NOC(CO)C3)cc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.64
MAOA P21397 8/20 0.54
MAOB P27338 2/20 0.54
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 1/20 0.47
MIF P14174 2/20 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
SCHEMBL3327993 0.89 MAOA (0.55) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3328027 0.89 MAOA (0.57) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL3327272 0.88 CALML3 (0.53) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL4954265 0.85 MAOA (0.61) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL3331334 0.84 MAOA (0.61) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL3328150 0.84 CALML3 (0.57) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3323529 0.83 MAOA (0.69) MAOAMAOBCYP2C9CYP3A4CYP2D6
SCHEMBL3323488 0.82 CALML3 (0.60) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL2897516 0.82 MAOA (0.60) CALML3MAOAMAOBCYP2C19CYP3A4
SCHEMBL3328646 0.82 MAOA (0.72) MAOAMAOBCYP2C9CYP3A4CYP2D6

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 CALML3 4624/4885MAOA 482/4885MAOB 192/4885
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents CYP8B1, CYP2W1, HRH2 CALML3 4637/4885MAOA 800/4885MAOB 328/4885

“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.