SCHEMBL6080442

SCHEMBL6080442

CCn1c(=O)c(C(=O)O)nc2c(O)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
TLR8 Q9NR97 1/20 0.49
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RCE1 Q9Y256 1/20 0.40
MEN1 O00255 3/20 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
SCHEMBL6079640 0.77 MAPK1 (0.46) MAPK1CASP1CASP7ALDH1A1MAPT
SCHEMBL6657286 0.77 TLR8 (0.54) MAPK1CASP1CASP7TLR8KDM4E
SCHEMBL7978785 0.75 TLR8 (0.52) CASP1CASP7TLR8KDM4EKMT2A
SCHEMBL9703964 0.71 MAPK1 (0.58) MAPK1CASP1CASP7KDM4EKMT2A
SCHEMBL3164934 0.71 KDM4E (0.46) MAPK1TLR8KDM4EKMT2AALDH1A1
SCHEMBL6653088 0.69 TLR8 (0.68) MAPK1TLR8KDM4EKMT2AALDH1A1
SCHEMBL6606816 0.69 NLRP3 (0.59) MAPK1CASP1CASP7TLR8KDM4E
SCHEMBL8861179 0.69 ALDH1A1 (0.70) MAPK1CASP1CASP7KDM4EKMT2A
SCHEMBL6652751 0.68 TLR8 (0.58) MAPK1CASP1CASP7TLR8KDM4E
SCHEMBL9704918 0.68 MAPK1 (0.50) MAPK1CASP1CASP7KDM4EKMT2A

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 MAPK1 927/4885CASP1 1895/4885CASP7 853/4885

“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.