SCHEMBL6079944

SCHEMBL6079944

Cc1c(C(=O)O)nc2c(C#N)cc(Br)cc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.42
PTGER1 P34995 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
PTGFR P43088 1/20 0.37
MCL1 Q07820 1/20 0.37
MAOB P27338 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL6079492 0.86 XDH (0.41) XDHMRGPRX4MAOB
SCHEMBL6079324 0.81 CTSV (0.40) PTGER1PTGFR
SCHEMBL6592622 0.80 XDH (0.51) XDHPTGER1MCL1
SCHEMBL6079907 0.77 PTGER1 (0.43) PTGER1THRATHRB
SCHEMBL6081248 0.77 THRA (0.41) PTGER1MCL1THRATHRB
SCHEMBL6594157 0.77 XDH (0.40) XDHMRGPRX4MAOBTHRATHRB
SCHEMBL6080219 0.77 KMT2A (0.39) MRGPRX4
SCHEMBL6080139 0.77 DHODH (0.36) PTGFR
SCHEMBL6079768 0.75 ALDH1A1 (0.38) PTGER1MCL1
SCHEMBL6079938 0.75 XDH (0.43) 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 1819/4885MRGPRX4 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.