SCHEMBL6080882

SCHEMBL6080882

Cc1c(C(=O)O)nc2c(OCc3ccccc3)cccc2c1C(N)CCC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.41
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
PTGER1 P34995 2/20 0.39
EDNRA P25101 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL6079871 0.83 CCR6 (0.35) MAPTTDP1L3MBTL1
SCHEMBL6593208 0.79 MRGPRX4 (0.45) MRGPRX4ADORA1ADORA3ADORA2APTGER1
SCHEMBL6080885 0.78 MRGPRX4 (0.41) MRGPRX4ADORA1ADORA3ADORA2APTGER1
SCHEMBL6080351 0.77 MAPT (0.49) MRGPRX4ADORA1ADORA3ADORA2APTGER1
SCHEMBL6080005 0.76 MAPT (0.48) MRGPRX4ADORA1ADORA3ADORA2APTGER1
SCHEMBL6080599 0.73 ADORA1 (0.46) MRGPRX4ADORA1ADORA3ADORA2APTGER1
SCHEMBL6080232 0.71 PTGER1 (0.43) MRGPRX4ADORA1ADORA3ADORA2APTGER1
SCHEMBL6079758 0.71 ADORA1 (0.43) MRGPRX4ADORA1ADORA3ADORA2APTGER1
SCHEMBL6079714 0.71 ADORA1 (0.43) MRGPRX4ADORA1ADORA3ADORA2APTGER1
SCHEMBL6080081 0.70 MAPT (0.42) MRGPRX4ADORA1ADORA3ADORA2APTGER1

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 MRGPRX4 238/4885ADORA1 1161/4885ADORA3 1328/4885

“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.