SCHEMBL6080448

SCHEMBL6080448

CC(c1ccccc1)c1ccc(N)c2nc(C(=O)O)cc(O)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
IGFBP3 P17936 3/20 0.34
LDHA P00338 3/20 0.34
LDHB P07195 3/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 1/20 0.34
FDPS P14324 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ASPH Q12797 1/20 0.33
RIOX2 Q8IUF8 1/20 0.33
KDM8 Q8N371 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 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
SCHEMBL6080120 0.79 TYR (0.42) TYRIGFBP3KDM4EKMT2AFDPS
SCHEMBL6080775 0.77 IGFBP3 (0.37) TYRIGFBP3LDHALDHBKDM4E
SCHEMBL6080409 0.76 KDM4E (0.43) IGFBP3KDM4EKMT2ATDP1
SCHEMBL6079930 0.76 BRD4 (0.38) KDM4EKMT2AALDH1A1TDP1GAA
SCHEMBL6080174 0.72 KDM4E (0.47) TYRKDM4EKMT2AFDPSTDP1
SCHEMBL6080452 0.72 DHFR (0.39) KDM4EKMT2AALDH1A1TDP1
SCHEMBL6080083 0.70 IGFBP5 (0.36) IGFBP3KDM4EKMT2ATDP1
SCHEMBL6601321 0.68 GPR35 (0.44) IGFBP3KDM4EALDH1A1TDP1
SCHEMBL6080058 0.67 KDM4E (0.46) IGFBP3KDM4EKMT2AFDPSTDP1
SCHEMBL6595426 0.67 GAA (0.49) KDM4EKMT2AALDH1A1TDP1GAA

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 6 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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO 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 TYR 226/4885IGFBP3 4812/4885LDHA 3492/4885

“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.