SCHEMBL6079841

SCHEMBL6079841

O=C(O)c1nc2c(OCc3ccccc3)c(C#CCOCc3ccccc3)ccc2c(OCc2ccccc2)c1Cc1ccccc1.O=C(O)c1nc2c(OCc3ccccc3)c(C#Cc3ccccc3)ccc2c(OCc2ccccc2)c1Cc1ccccc1.O=C(O)c1nc2c(OCc3ccccc3)cc(C#CCOCc3ccccc3)cc2c(OCc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP12 P39900 2/20 0.35
EGLN1 Q9GZT9 1/20 0.33
XDH P47989 2/20 0.30

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
SCHEMBL6079838 0.92 MMP2 (0.31) MMP2MMP12
SCHEMBL6080053 0.91 MMP2 (0.39) MMP2MMP12EGLN1
SCHEMBL6080097 0.88 MMP2 (0.37) MMP2MMP12EGLN1XDH
SCHEMBL6080114 0.85 FFAR1 (0.38) EGLN1XDH
SCHEMBL6079888 0.80 MMP2 (0.40) MMP2MMP12EGLN1XDH
SCHEMBL6080217 0.77 KDM4E (0.35)
SCHEMBL6598552 0.76 XDH (0.42) MMP2MMP12XDH
SCHEMBL6595349 0.75 MMP2 (0.43) MMP2MMP12XDH
SCHEMBL6596772 0.73 MMP2 (0.42) MMP2MMP12EGLN1XDH
SCHEMBL6596273 0.73 XDH (0.44) XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL MMP2 4090/4885MMP12 4456/4885EGLN1 1893/4885

“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.