SCHEMBL3328027

SCHEMBL3328027

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(CO)C4)cc3F)cc2)C(=O)O1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.57
CALML3 P27482 7/20 0.54
MAOB P27338 3/20 0.54
LMNA P02545 1/20 0.54
PTGS1 P23219 1/20 0.54
SDHA P31040 1/20 0.54
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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 0.97 MAOA (0.55) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4954265 0.96 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3331334 0.95 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL2897516 0.93 MAOA (0.60) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6071164 0.90 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14559457 0.90 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL14559456 0.90 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3326555 0.89 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3328540 0.89 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3328545 0.89 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1

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