SCHEMBL6079945

SCHEMBL6079945

COC(=O)c1cc(C#CCNC(C)=O)c2cccc(N)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
PTGER4 P35408 1/20 0.36
ADORA2A P29274 1/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34

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
SCHEMBL6595255 0.89 FDPS (0.36) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL6080146 0.88 FDPS (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6080046 0.84 CTSL (0.51) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6079942 0.83 APP (0.44) KDM4EALDH1A1MAPTPKMPTGER4
SCHEMBL6080487 0.81 ALDH1A1 (0.42) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6079787 0.77 NQO2 (0.49) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6080401 0.75 NQO2 (0.47) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6080286 0.73 NQO2 (0.45) NQO2KDM4EALDH1A1MAPTPKM
SCHEMBL6080028 0.72 APP (0.41) NQO2MAPTCTSBMAPK1
SCHEMBL6599957 0.71 CTSL (0.46) KDM4EALDH1A1MAPTCYP1A2CYP3A4

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.