SCHEMBL6079758

SCHEMBL6079758

Cc1c(C(=O)O)nc2c(OCc3ccccc3)cccc2c1CCCCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
PTGER1 P34995 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
EDNRA P25101 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
FOLH1 Q04609 1/20 0.41
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL6079714 0.92 ADORA1 (0.43) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080599 0.88 ADORA1 (0.46) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080351 0.81 MAPT (0.49) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080223 0.81 NPSR1 (0.41) MAPTL3MBTL1MAPK1HDAC3HDAC4
SCHEMBL6080885 0.81 MRGPRX4 (0.41) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080005 0.80 MAPT (0.48) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6599193 0.79 HDAC3 (0.45) ADORA1ADORA3ADORA2APTGER1MRGPRX4
SCHEMBL6080232 0.76 PTGER1 (0.43) ADORA1ADORA3ADORA2APTGER1MAPT
SCHEMBL6080558 0.75 KDM4E (0.40) MAPTL3MBTL1CYP2C9CYP2C19BRD4
SCHEMBL16106605 0.75 FFAR4 (0.42) ADORA1ADORA3ADORA2APTGER1MAPT

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 ADORA1 1161/4885ADORA3 1328/4885ADORA2A 1442/4885

“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.