SCHEMBL2136163

SCHEMBL2136163

O=C1COCN1Cc1ccc(Oc2ccccn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.44
LTA4H P09960 1/20 0.43
PTGS2 P35354 1/20 0.43
P2RX3 P56373 17/20 0.41
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL2130801 0.86 EGLN1 (0.47) P2RX3
SCHEMBL2131794 0.84 KDM4E (0.45) LTA4HPTGS2P2RX3
SCHEMBL2135295 0.77 P2RX3 (0.42) P2RX3
SCHEMBL2131801 0.77 HCRTR1 (0.48) CHRM5LTA4HP2RX3
SCHEMBL5963434 0.75 L3MBTL1 (0.49)
SCHEMBL14577578 0.73 CHRM5 (0.59) CHRM5LTA4HPTGS2
SCHEMBL4238868 0.71 PDE10A (0.55)
SCHEMBL646795 0.71 LTA4H (0.50) CHRM5LTA4HPTGS2P2RX3
SCHEMBL6158569 0.71 SMN1; SMN2 (0.48) CHRM5P2RX3
SCHEMBL2896362 0.71 FADS1 (0.48) CHRM5LTA4HP2RX3MMP1MMP13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 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 (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-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES HCRTR2, HCRTR1, NPY4R CHRM5 356/4885LTA4H 735/4885PTGS2 4026/4885

“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.