SCHEMBL6080452

SCHEMBL6080452

Nc1ccc(CCc2ccccc2)c2c(O)cc(C(=O)O)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MCL1 Q07820 1/20 0.38
BCL2A1 Q16548 1/20 0.38
P2RX3 P56373 1/20 0.38
IGFBP5 P24593 1/20 0.37
SOX18 P35713 1/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRL1 P41146 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CES1 P23141 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL6079742 0.87 HSP90AA1 (0.43) KDM4EHIF1AALDH1A1MAPTTDP1
SCHEMBL6080083 0.84 IGFBP5 (0.36) KDM4EIGFBP5HIF1AKMT2AMAPT
SCHEMBL6597624 0.78 KDM4E (0.41) KDM4EP2RX3IGFBP5HIF1AOPRL1
Hydrochloric Acid SCHEMBL6080175 0.77 KDM4E (0.40) KDM4EP2RX3IGFBP5HIF1AALDH1A1
SCHEMBL6080777 0.77 P2RX3 (0.39) KDM4EMCL1BCL2A1P2RX3IGFBP5
SCHEMBL6080733 0.77 KDM4E (0.43) KDM4EP2RX3IGFBP5SOX18ALDH1A1
SCHEMBL6079930 0.76 BRD4 (0.38) KDM4EMCL1KMT2AMEN1ALDH1A1
SCHEMBL6079750 0.76 P2RX3 (0.44) DHFRKDM4EP2RX3KMT2AMEN1
SCHEMBL6080124 0.75 PLAUR (0.45) KDM4EMCL1P2RX3IGFBP5SOX18
SCHEMBL6080409 0.74 KDM4E (0.43) KDM4EMCL1IGFBP5HIF1AKMT2A

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 DHFR 515/4885KDM4E 1006/4885MCL1 998/4885

“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.