SCHEMBL3323874

SCHEMBL3323874

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(CO)C4)nc3)cc2)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.47
MAOA P21397 6/20 0.47
MAOB P27338 3/20 0.47
CALML3 P27482 2/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 1/20 0.47
F10 P00742 5/20 0.43

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
SCHEMBL3328540 0.91 MAOA (0.51) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL3326613 0.91 MAOA (0.51) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL3328545 0.91 MAOA (0.51) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL3326555 0.91 MAOA (0.51) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL14559457 0.89 MAOA (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL6071164 0.89 MAOA (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL14559456 0.89 MAOA (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL14069778 0.88 MAOA (0.44) ABCB11MAOAMAOBCALML3LMNA
SCHEMBL5365446 0.85 MAOA (0.53) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL4699813 0.85 MAOA (0.53) MAOAMAOBCALML3LMNAPTGS1

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 8 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
CN-1639136-A Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2005-07-13 CN 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 ABCB11 466/4885MAOA 482/4885MAOB 192/4885
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents CYP8B1, CYP2W1, HRH2 ABCB11 477/4885MAOA 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.