SCHEMBL6080967

SCHEMBL6080967

COC(=O)c1cc(CCCC(=O)OC(C)(C)C)c2cccc(N)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 2/20 0.34
PTGER4 P35408 1/20 0.34
MTNR1A P48039 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 1/20 0.34
FDPS P14324 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL6080612 0.86 NQO2 (0.44) NQO2ALDH1A1MAPTKDM4EPKM
SCHEMBL6079893 0.84 NQO2 (0.41) NQO2ALDH1A1MAPTKDM4EPKM
SCHEMBL6079245 0.82 GRK6 (0.42) NQO2ALDH1A1MAPTKDM4EPKM
SCHEMBL6079273 0.78 ALDH1A1 (0.42) NQO2ALDH1A1MAPTKDM4EPKM
SCHEMBL6596080 0.78 NQO2 (0.45) NQO2KDM4E
Hydrochloric Acid SCHEMBL6080350 0.77 NQO2 (0.44) NQO2KDM4E
SCHEMBL6080040 0.75 NQO2 (0.47) NQO2MAPTKDM4E
SCHEMBL6079787 0.75 NQO2 (0.49) NQO2ALDH1A1MAPTKDM4EPKM
SCHEMBL6080971 0.73 PARP1 (0.33) ALDH1A1KDM4EHPGDLMNAPARP1
SCHEMBL6080401 0.72 NQO2 (0.47) NQO2ALDH1A1MAPTKDM4EPKM

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 1 patent. 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

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 NQO2 2/4885ALDH1A1 2726/4885MAPT 1575/4885

“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.