SCHEMBL5654496

SCHEMBL5654496

Fc1cc(C2=NOC(COc3ccon3)C2)ccc1-n1ccnc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 15/20 0.36
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL5654502 1.00 MIF (0.36) MIFMAPTKDM4ELMNAGABRG2
SCHEMBL5657092 0.85 MIF (0.39) MIFMAPTKDM4ELMNAALDH1A1
SCHEMBL5657087 0.85 MIF (0.39) MIFMAPTKDM4ELMNAALDH1A1
SCHEMBL5654816 0.84 MIF (0.36) MIFMAPTKDM4ELMNAALDH1A1
SCHEMBL5654962 0.84 MIF (0.36) MIFMAPTKDM4ELMNAALDH1A1
SCHEMBL5655522 0.84 MIF (0.36) MIFMAPTKDM4ELMNA
SCHEMBL5654955 0.84 MIF (0.36) MIFMAPTKDM4ELMNAALDH1A1
SCHEMBL5654812 0.84 MIF (0.36) MIFMAPTKDM4ELMNAALDH1A1
SCHEMBL5655513 0.84 MIF (0.36) MIFMAPTKDM4ELMNA
SCHEMBL5655145 0.82 PDE3B (0.42) MIF

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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 US claimed
US-7081538-B1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-07-25 US claimed
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP claimed
US-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2007-12-06 US disclosed
US-7081538-B1 Substituted isoxazolines and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-07-25 US disclosed
EP-1242416-B1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2005-04-13 EP disclosed
EP-1242416-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001040222-A1 SUBSTITUTED ISOXAZOLINES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2001-06-07 WO 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 (1 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-20070281916-A1 Substituted isoxazolines and their use as antibacterial agents CYP2S1, CYP3A7, CYP3A5 MIF 4704/4885MAPT 4743/4885KDM4E 2620/4885

“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.