SCHEMBL6079893

SCHEMBL6079893

COC(=O)c1cc(CCCO)c2cccc(N)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
CYP4A11 Q02928 3/20 0.40
CYP4F2 P78329 2/20 0.40
HSD17B10 Q99714 2/20 0.39
PTGER4 P35408 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
FDPS P14324 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL6079245 0.88 GRK6 (0.42) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6079612 0.87 CYP4A11 (0.40) KDM4EALDH1A1MAPTCYP4A11CYP4F2
SCHEMBL6080554 0.87 CYP4A11 (0.40) KDM4EALDH1A1MAPTCYP4A11CYP4F2
SCHEMBL6605390 0.86 FDPS (0.38) KDM4EFDPSPARP1TDP1
Hydrochloric Acid SCHEMBL6080849 0.85 FDPS (0.37) KDM4EFDPSPARP1TDP1
SCHEMBL6079273 0.85 ALDH1A1 (0.42) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6080967 0.84 NQO2 (0.36) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6080612 0.82 NQO2 (0.44) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6079787 0.81 NQO2 (0.49) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6080401 0.78 NQO2 (0.47) NQO2KDM4EALDH1A1MAPTPKM

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 NQO2 2/4885KDM4E 1006/4885ALDH1A1 2726/4885

“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.