SCHEMBL6080775

SCHEMBL6080775

CC(c1ccccc1)c1cc(N)c2nc(C(=O)O)cc(O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 5/20 0.37
KDM4E B2RXH2 3/20 0.36
ASPH Q12797 1/20 0.36
RIOX2 Q8IUF8 1/20 0.36
KDM8 Q8N371 1/20 0.36
LDHA P00338 2/20 0.35
LDHB P07195 2/20 0.35
TYR P14679 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.35
NR1I2 O75469 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
FDPS P14324 1/20 0.34
GPR35 Q9HC97 1/20 0.33
IGFBP5 P24593 1/20 0.33

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
Hydrochloric Acid SCHEMBL6080684 0.88 TBXAS1 (0.42) IGFBP3KDM4ELDHALDHBTRPM8
SCHEMBL6080738 0.78 MCL1 (0.43) IGFBP3KDM4EKMT2AMAPTALOX15
SCHEMBL6080120 0.77 TYR (0.42) IGFBP3KDM4ETYRKMT2AMAPT
SCHEMBL6080448 0.77 TYR (0.43) IGFBP3KDM4EASPHRIOX2KDM8
SCHEMBL6080512 0.76 GPR35 (0.43) IGFBP3KDM4EKMT2AMAPTRAB9A
SCHEMBL6592548 0.75 IGFBP3 (0.40) IGFBP3KDM4EKMT2AMAPTRAB9A
SCHEMBL6079960 0.75 GPR35 (0.38) IGFBP3KDM4EKMT2AMAPTRAB9A
SCHEMBL6080777 0.74 P2RX3 (0.39) IGFBP3KDM4EASPHRIOX2KDM8
SCHEMBL6596479 0.74 KDM4E (0.43) IGFBP3KDM4EKMT2AMAPTRAB9A
SCHEMBL6080058 0.74 KDM4E (0.46) IGFBP3KDM4EKMT2AMAPTRAB9A

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 IGFBP3 4812/4885KDM4E 1006/4885ASPH 2569/4885

“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.