SCHEMBL6080002

SCHEMBL6080002

O=C(O)c1nc2c(OCc3ccccc3)cc(-c3ccc(F)cc3)cc2c(OCc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
MCL1 Q07820 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
DHODH Q02127 1/20 0.41
PTGER1 P34995 1/20 0.41
PTPN1 P18031 2/20 0.40
PPIA P62937 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
NR4A2 P43354 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
SCHEMBL6079943 0.88 PTGER1 (0.41) MAP4K4MCL1PTGER1PTPN1
SCHEMBL6080066 0.85 PTGER1 (0.43) MCL1PTGER1PTPN1PPIA
SCHEMBL6079219 0.85 ERN1 (0.48) MCL1MRGPRX4DHODHPTGER1
SCHEMBL6080257 0.84 PTGER1 (0.41) MAP4K4MCL1MRGPRX4PTGER1
SCHEMBL6080659 0.83 PTGER1 (0.44) MCL1MRGPRX4PTGER1
SCHEMBL6592997 0.82 MCL1 (0.51) MAP4K4MCL1MRGPRX4DHODHPTGER1
SCHEMBL6080053 0.77 MMP2 (0.39) MAP4K4MCL1MRGPRX4PTGER1
SCHEMBL6079994 0.76 DHODH (0.46) MAP4K4MCL1MRGPRX4DHODHPTGER1
SCHEMBL6080645 0.75 P2RY14 (0.43) MCL1PTGER1NR4A2
SCHEMBL6081088 0.75 RXRA (0.41) MCL1MRGPRX4DHODHPTGER1

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 MAP4K4 708/4885MCL1 998/4885MRGPRX4 238/4885

“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.