SCHEMBL3327072

SCHEMBL3327072

O=C1O[C@@H](CO)CN1c1ccc(Br)cn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
GRM5 P41594 4/20 0.46
CALML3 P27482 4/20 0.44
PDE10A Q9Y233 1/20 0.42
AKR1C3 P42330 1/20 0.41
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL15856168 1.00 MAOA (0.47) MAOAMAOBGRM5CALML3PDE10A
SCHEMBL15856197 1.00 MAOA (0.47) MAOAMAOBGRM5CALML3PDE10A
SCHEMBL17286801 0.88 GRM5 (0.48) MAOAMAOBGRM5AKR1C3KDM4E
SCHEMBL15856178 0.88 GRM5 (0.46) MAOAMAOBGRM5AKR1C3KDM4E
SCHEMBL17286803 0.88 GRM5 (0.48) MAOAMAOBGRM5AKR1C3KDM4E
SCHEMBL3325784 0.88 GRM5 (0.46) GRM5AKR1C3
Hydrochloric Acid SCHEMBL8354006 0.86 GRM5 (0.45) GRM5AKR1C3
SCHEMBL7304594 0.84 GRM5 (0.65) MAOAMAOBGRM5
SCHEMBL2519025 0.84 GRM5 (0.65) MAOAMAOBGRM5
SCHEMBL3325285 0.83 ABCB11 (0.48) MAOAMAOBGRM5CALML3

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 14 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-7396847-B2 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2008-07-08 US disclosed
EP-1427711-B1 OXAZOLIDINONE AND/OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-07-13 EP disclosed
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents ASTRAZENECA AB (SE) 2005-05-19 US disclosed
EP-1427711-A1 OXAZOLIDINONE AND/OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2004-06-16 EP disclosed
WO-2003022824-A1 OXAZOLIDINONE AND/OR ISOXAZOLINE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-03-20 WO disclosed
EP-0789025-B1 Substituted oxazolidinone and their use as antibacterial medicine BAYER AG (DE) 2001-04-04 EP disclosed
US-5922708-A ANTIBACTERIAL DRUGS BAYER AKTIENGESELLSCHAFT (DE) 1999-07-13 US disclosed
US-5843967-A 6-membered nitrogen-containing heteroaryl-oxazolidinones BAYER AKTIENGESELLSCHAFT (DE) 1998-12-01 US disclosed
US-5792765-A ANTIBACTERIAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1998-08-11 US disclosed
EP-0789025-A1 Substituted oxazolidinone and their use as antibacterial medicine BAYER AG (DE) 1997-08-13 EP disclosed
EP-0789026-A1 Hetero-aryl oxazolidinone and their use as antibacterial medicine BAYER AG (DE) 1997-08-13 EP disclosed
US-5627181-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed
EP-0694543-A1 6-membered N-heteroaryloxazolidinones BAYER AG (DE) 1996-01-31 EP 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 192/4885GRM5 2992/4885
US-20050107435-A1 Oxazolidinone and/or isoxazoline as antibacterial agents CYP8B1, CYP2W1, HRH2 MAOA 800/4885MAOB 328/4885GRM5 2838/4885

“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.