SCHEMBL6080439

SCHEMBL6080439

C#Cc1c(C(=O)O)nc2c(C#N)ccc(Cc3ccccc3)c2c1OCc1ccccc1.c1cc2cc-2c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.39
SQOR Q9Y6N5 1/20 0.35
ADORA1 P30542 1/20 0.35
MAOB P27338 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
NR4A2 P43354 1/20 0.34

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
SCHEMBL6593145 0.84 XDH (0.40) XDHSQORADORA1NR4A2
SCHEMBL6080444 0.84 XDH (0.38) XDHMAOB
Benzene SCHEMBL6079490 0.82 XDH (0.41) XDHMAOBMRGPRX4
SCHEMBL6080482 0.81 XDH (0.40) XDHMAOB
Benzene SCHEMBL6592619 0.79 XDH (0.39) XDHMAOBMRGPRX4NR4A2
SCHEMBL6080724 0.73 MAPT (0.38) MRGPRX4
SCHEMBL6079921 0.72 MRGPRX4 (0.41) ADORA1MRGPRX4
SCHEMBL6079521 0.71 FOLH1 (0.40) MRGPRX4
SCHEMBL6080303 0.69 KDM5B (0.36) XDHADORA1
SCHEMBL16719427 0.68 MAOB (0.48) XDHSQORMAOBNR4A2

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 128/4885SQOR 16/4885ADORA1 1161/4885

“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.