SCHEMBL6080503

SCHEMBL6080503

COC(=O)c1cc(O)c2cc(CCc3ccccc3)cc(C#N)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
PLA2G2A P14555 3/20 0.40
HSD17B10 Q99714 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
DAGLA Q9Y4D2 1/20 0.38
MMP2 P08253 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36
PTGER4 P35408 1/20 0.36
CES1 P23141 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6080460 0.88 XDH (0.38) ALDH1A1KDM4EEGLN2EGLN1SMN1; SMN2
SCHEMBL6079862 0.86 GAA (0.38) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL6080649 0.83 ALOX5 (0.47) ALDH1A1KDM4EPLA2G2ADAGLAMMP2
SCHEMBL6080238 0.83 PLA2G2A (0.42) ALDH1A1KDM4EHPGDPLA2G2ADAGLA
SCHEMBL6079541 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL6079703 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL31726174 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL6080128 0.78 GAA (0.39) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL6079986 0.77 HSP90AA1 (0.43) ALDH1A1KDM4EHPGDTDP1PLA2G2A
SCHEMBL6080822 0.77 RNASEH1 (0.44) ALDH1A1KDM4EHPGDPLA2G2AHSD17B10

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 ALDH1A1 2726/4885KDM4E 1006/4885HPGD 336/4885

“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.