SCHEMBL6080409

SCHEMBL6080409

Cc1ccc(N)c2nc(C(=O)O)cc(O)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 1/20 0.43
GPR35 Q9HC97 2/20 0.39
KMT2A Q03164 1/20 0.37
IGFBP3 P17936 4/20 0.36
IGFBP5 P24593 2/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
DAO P14920 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KDM4A O75164 1/20 0.34
MCL1 Q07820 1/20 0.33
CASP1 P29466 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
SCHEMBL6080287 0.86 KDM4E (0.46) KDM4EMAPTTDP1RAB9AGPR35
SCHEMBL6080542 0.84 NQO2 (0.46) KDM4EMAPTTSHRALOX15CASP1
SCHEMBL6592438 0.79 GPR35 (0.51) KDM4EMAPTTDP1RAB9AGPR35
SCHEMBL6079930 0.78 BRD4 (0.38) KDM4EMAPTTDP1KMT2AALOX15
SCHEMBL6591710 0.77 TSHR (0.46) KDM4EMAPTTDP1RAB9AGPR35
SCHEMBL6591707 0.77 TSHR (0.46) KDM4EMAPTTDP1RAB9AGPR35
SCHEMBL6080448 0.76 TYR (0.43) KDM4ETDP1KMT2AIGFBP3
SCHEMBL6080083 0.75 IGFBP5 (0.36) KDM4EMAPTTDP1RAB9AKMT2A
SCHEMBL6595426 0.74 GAA (0.49) KDM4EMAPTTDP1RAB9AKMT2A
SCHEMBL6080452 0.74 DHFR (0.39) KDM4EMAPTTDP1KMT2AIGFBP5

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 KDM4E 1006/4885MAPT 1575/4885TDP1 2264/4885

“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.