SCHEMBL6080107

SCHEMBL6080107

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c2ccc(C#Cc3ccccc3)c(OCc3ccccc3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.39
XDH P47989 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
GRM5 P41594 1/20 0.36
MCL1 Q07820 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGER1 P34995 2/20 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
SCHEMBL6596273 0.92 XDH (0.44) XDHPTGDR2MCL1PTGER1
SCHEMBL6080093 0.87 MMP2 (0.36) XDHEGLN1SLC6A2SLC6A3KMT2A
SCHEMBL6080213 0.85 CTSL (0.44) XDHTDP1
SCHEMBL6079919 0.82 MAPT (0.41) ADORA3XDHPTGDR2EGLN1SLC6A2
SCHEMBL6079894 0.82 THRA (0.42) EGLN1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6080642 0.81 P2RY14 (0.42) MCL1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL6594101 0.80 MCL1 (0.43) XDHMCL1PTGER1
SCHEMBL6079838 0.80 MMP2 (0.31)
SCHEMBL6598552 0.79 XDH (0.42) XDHMCL1PTGER1
SCHEMBL6079765 0.79 NOTUM (0.41) TDP1

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
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 ADORA3 1328/4885XDH 128/4885PTGDR2 3561/4885

“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.