SCHEMBL6080436

SCHEMBL6080436

N#Cc1cccc2c(OCc3ccccc3)c(C#Cc3ccccc3)c(C(=O)OCc3ccccc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.41
XDH P47989 3/20 0.36
PPIA P62937 1/20 0.35
MAOB P27338 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
KMT2A Q03164 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL6593140 0.91 XDH (0.38) ADORA3XDHPPIAMAOBFFAR1
SCHEMBL6080478 0.84 XDH (0.39) XDHMAOBEGLN1KMT2ASLC6A2
Benzene SCHEMBL6592619 0.79 XDH (0.39) XDHMAOB
SCHEMBL6594157 0.77 XDH (0.40) XDHMAOB
SCHEMBL6593145 0.75 XDH (0.40) XDHFFAR1
SCHEMBL6079768 0.75 ALDH1A1 (0.38) ADORA3FFAR1TDP1
SCHEMBL6080444 0.74 XDH (0.38) ADORA3XDHPPIAMAOB
SCHEMBL6079492 0.74 XDH (0.41) ADORA3XDHMAOBEGLN1EGLN2
SCHEMBL6080295 0.71 KDM4A (0.38) EGLN1KMT2A
SCHEMBL6592610 0.70 XDH (0.49) 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 ADORA3 1328/4885XDH 128/4885PPIA 2675/4885

“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.