SCHEMBL6079923

SCHEMBL6079923

O=C(O)c1nc2c(OCc3ccccc3)ccc(C#Cc3ccccc3)c2cc1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.41
PTGER1 P34995 8/20 0.40
FOLH1 Q04609 2/20 0.40
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL6079648 0.81 PTGER1 (0.48) PTGER1FOLH1NPC1MAPTRAB9A
SCHEMBL6593178 0.81 XDH (0.47) XDHPTGER1FOLH1
SCHEMBL6080461 0.78 FOLH1 (0.50) PTGER1FOLH1NPC1MAPTRAB9A
SCHEMBL6079919 0.76 MAPT (0.41) XDHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6591653 0.75 MRGPRX4 (0.46) XDHPTGER1FOLH1
SCHEMBL6080114 0.75 FFAR1 (0.38) XDHPTGDR2
SCHEMBL6080232 0.74 PTGER1 (0.43) PTGER1FOLH1MAPTL3MBTL1
SCHEMBL6596273 0.72 XDH (0.44) XDHPTGER1PTGDR2
SCHEMBL6080444 0.71 XDH (0.38) XDHMAPT
SCHEMBL6079841 0.71 MMP2 (0.35) 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 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 XDH 128/4885PTGER1 1819/4885FOLH1 3307/4885

“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.