SCHEMBL6079862

SCHEMBL6079862

CCc1cc(C#N)c2nc(C(=O)OC)cc(O)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 2/20 0.37
CRHBP P24387 2/20 0.37
CRHR2 Q13324 2/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36

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
SCHEMBL6080495 0.87 XDH (0.35) GAAALDH1A1KDM4EMAPTTDP1
SCHEMBL6080503 0.86 ALDH1A1 (0.44) GAAALDH1A1KDM4ESMN1; SMN2RXFP1
SCHEMBL6080128 0.84 GAA (0.39) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6079182 0.81 GAA (0.37) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6079541 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDCRHBP
SCHEMBL6079703 0.80 ALDH1A1 (0.40) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL31726174 0.80 ALDH1A1 (0.40) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6080275 0.79 GAA (0.35) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6080353 0.73 NQO2 (0.41) GAAALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6080683 0.72 NPC1 (0.40) ALDH1A1SMN1; SMN2LCKPTGER4CYP1A2

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 GAA 589/4885ALDH1A1 2726/4885KDM4E 1006/4885

“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.