SCHEMBL6080353

SCHEMBL6080353

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LCK P06239 1/20 0.36
PKM P14618 1/20 0.35
GAA P10253 3/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 2/20 0.34
CISD2 Q8N5K1 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
AR P10275 1/20 0.32
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL6080504 0.84 XDH (0.34) KDM4EMAPTGPR35
SCHEMBL6079518 0.82 NQO2 (0.45) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL6080256 0.82 NQO2 (0.45) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL6081104 0.81 NQO2 (0.45) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL6079854 0.81 CTSB (0.41) ALDH1A1MAPTLCK
SCHEMBL6079733 0.80 NQO2 (0.43) NQO2ALDH1A1KDM4EMAPTLCK
SCHEMBL6080021 0.80 NQO2 (0.49) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL6079182 0.78 GAA (0.37) NQO2ALDH1A1KDM4EHPGDMAPT
SCHEMBL5566519 0.76 CYP11B2 (0.43) LCKEGLN2
SCHEMBL6080853 0.76 NQO2 (0.35) NQO2ALDH1A1KDM4EHPGDMAPT

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 2/4885ALDH1A1 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.