SCHEMBL6079599

SCHEMBL6079599

O=C(O)c1nc2c(OCc3ccccc3)ccc(Cc3ccccc3)c2c(OCc2ccccc2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.42
FOLH1 Q04609 2/20 0.42
CYP1A2 P05177 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
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
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
ELANE P08246 2/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL6079521 0.87 FOLH1 (0.40) PTGER1FOLH1L3MBTL1NPC1MAPT
SCHEMBL6080482 0.85 XDH (0.40) THRATHRB
SCHEMBL6592161 0.79 MRGPRX4 (0.46) PTGER1FOLH1CYP1A2L3MBTL1NPC1
SCHEMBL6079648 0.77 PTGER1 (0.48) PTGER1FOLH1CYP1A2L3MBTL1NPC1
SCHEMBL6080525 0.76 PTGER1 (0.46) PTGER1FOLH1CYP1A2L3MBTL1MAPT
SCHEMBL9785320 0.73 MAPK14 (0.45) PTGER1FOLH1CYP1A2L3MBTL1THRA
SCHEMBL6080461 0.73 FOLH1 (0.50) PTGER1FOLH1L3MBTL1NPC1MAPT
SCHEMBL6081012 0.73 THRA (0.43) PTGER1SMN1; SMN2THRATHRB
SCHEMBL6079972 0.72 MRGPRX4 (0.46) PTGER1FOLH1CYP1A2L3MBTL1NPC1
SCHEMBL6080445 0.72 MAPT (0.47) PTGER1FOLH1CYP1A2L3MBTL1MAPT

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 PTGER1 1819/4885FOLH1 3307/4885CYP1A2 117/4885

“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.