SCHEMBL5654903

SCHEMBL5654903

CC(=O)OCC(=O)N1CCN(c2ccc(C3=NO[C@H](COc4ccon4)C3)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.41
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GRM5 P41594 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5654893 1.00 MIF (0.41) MIFALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5654248 0.91 MIF (0.42) MIFALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5654252 0.91 MIF (0.42) MIFALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5654604 0.90 MIF (0.45) MIFLMNAMAPTL3MBTL1
SCHEMBL5652806 0.88 MIF (0.48) MIFLMNAMAPTL3MBTL1
SCHEMBL5655159 0.85 MIF (0.40) MIFALDH1A1LMNAMAPTPOLB
SCHEMBL5655172 0.85 MIF (0.40) MIFALDH1A1LMNAMAPTPOLB
SCHEMBL5653481 0.82 MIF (0.40) MIFALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5655145 0.81 PDE3B (0.42) MIF
SCHEMBL5655143 0.81 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 3 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

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 3087/4885SMN1; SMN2 2931/4885

“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.