SCHEMBL6079245

SCHEMBL6079245

CCCCCCc1cc(C(=O)OC)nc2c(N)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.42
TLR8 Q9NR97 4/20 0.42
CNR2 P34972 1/20 0.41
PARP1 P09874 1/20 0.41
NQO2 P16083 1/20 0.40
PTGER4 P35408 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
PPARA Q07869 1/20 0.39
PKM P14618 1/20 0.39
TLR7 Q9NYK1 1/20 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
SCHEMBL6079893 0.88 NQO2 (0.41) PARP1NQO2PTGER4KDM4EALDH1A1
SCHEMBL6602488 0.88 TLR8 (0.47) TLR8PARP1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL6079257 0.87 TLR8 (0.46) TLR8PARP1KDM4EALDH1A1MAPT
SCHEMBL6079273 0.83 ALDH1A1 (0.42) NQO2PTGER4KDM4EALDH1A1MAPT
SCHEMBL28639363 0.83 PTGER4 (0.43) GRK6CNR2PTGER4KDM4EALDH1A1
SCHEMBL6080967 0.82 NQO2 (0.36) TLR8PARP1NQO2PTGER4KDM4E
SCHEMBL28308942 0.81 PLA2G2A (0.49) GRK6TLR8CNR2KDM4EALDH1A1
SCHEMBL6079710 0.80 MTNR1A (0.43) KDM4EPPARA
SCHEMBL6080612 0.80 NQO2 (0.44) NQO2KDM4EALDH1A1MAPTCYP3A4
SCHEMBL6079787 0.79 NQO2 (0.49) PARP1NQO2PTGER4KDM4EALDH1A1

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 GRK6 1777/4885TLR8 1171/4885CNR2 734/4885

“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.