SCHEMBL6080942

SCHEMBL6080942

COc1cc(C#Cc2ccccc2)cc2c(O)c(C)c(C(=O)O)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 5/20 0.39
ERN1 O75460 1/20 0.38
GRM5 P41594 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PDE10A Q9Y233 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALOX15 P16050 1/20 0.38
HNF4A P41235 1/20 0.37
EGFR P00533 1/20 0.37
DHODH Q02127 1/20 0.37
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6081306 0.82 PDE10A (0.45) ERN1PDE10AGPR35ALOX15DHODH
SCHEMBL6080375 0.81 CTSL (0.37) GPR35KDM4E
SCHEMBL6080302 0.80 GPR35 (0.44) ERN1PDE10AGPR35ALOX15DHODH
SCHEMBL6080655 0.79 ALOX5 (0.50) PDE10AGPR35ALOX15GAAMAPT
SCHEMBL6594680 0.79 ALOX15 (0.48) HAO1ERN1GRM5KCNH2PDGFRB
SCHEMBL6080307 0.78 GPR35 (0.43) PDE10AGPR35ALOX15MEN1MAPT
SCHEMBL6081157 0.78 GPR35 (0.43) PDE10AGPR35ALOX15MEN1MAPT
SCHEMBL6080176 0.78 GPR35 (0.43) ERN1PDE10AGPR35ALOX15DHODH
SCHEMBL6080920 0.77 PDE10A (0.50) PDE10AGPR35ALOX15MEN1GAA
SCHEMBL6080422 0.76 KDM4E (0.43) MEN1GAAKMT2AL3MBTL1KDM4E

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 HAO1 3021/4885ERN1 4194/4885GRM5 1562/4885

“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.