SCHEMBL5654137

SCHEMBL5654137

Fc1cc(C2=NOC(COc3ccon3)C2)ccc1N1CCSCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 14/20 0.39
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK10 P53779 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 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
SCHEMBL5654140 1.00 MIF (0.39) MIFALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL5865858 0.91 MIF (0.39) MIFALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL5865860 0.91 MIF (0.39) MIFALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL5655145 0.90 PDE3B (0.42) MIFPDE3BPDE3A
SCHEMBL5655143 0.90 PDE3B (0.42) MIFPDE3BPDE3A
SCHEMBL5654239 0.89 MIF (0.39) MIFPDE3BPDE3A
SCHEMBL5654236 0.89 MIF (0.39) MIFPDE3BPDE3A
SCHEMBL5653151 0.87 MIF (0.38) MIFALDH1A1PDE3BPDE3AKDM4E
SCHEMBL5654369 0.87 MIF (0.40) MIFALDH1A1PDE3BPDE3AKDM4E
SCHEMBL6173311 0.87 MIF (0.40) MIFALDH1A1PDE3BPDE3AKDM4E

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 5 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 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 4704/4885ALDH1A1 3087/4885ALOX15 1068/4885

“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.