SCHEMBL6080495

SCHEMBL6080495

CCc1cc(C#N)c2nc(C(=O)O)cc(O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.35
GPR35 Q9HC97 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
F11 P03951 1/20 0.33
HSD17B10 Q99714 2/20 0.33
IGFBP3 P17936 2/20 0.33
IGFBP5 P24593 2/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4A O75164 1/20 0.32
GAA P10253 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
SCHEMBL6079862 0.87 GAA (0.38) KDM4EALDH1A1L3MBTL1MAPTTDP1
SCHEMBL6080460 0.84 XDH (0.38) XDHHCAR2KDM4EALDH1A1RAB9A
SCHEMBL6080939 0.80 GPR35 (0.34) XDHGPR35KDM4EALDH1A1TSHR
SCHEMBL6591404 0.77 GPR35 (0.35) XDHGPR35KDM4ETSHRMAPT
SCHEMBL6079864 0.77 XDH (0.36) XDHKDM4EALDH1A1TSHRL3MBTL1
SCHEMBL6080503 0.77 ALDH1A1 (0.44) KDM4EALDH1A1RAB9ATDP1POLB
SCHEMBL6080290 0.76 MCL1 (0.40) XDHKDM4EALDH1A1TDP1F11
SCHEMBL6593220 0.76 GPR35 (0.35) GPR35KDM4EMAPTRAB9ATDP1
SCHEMBL6080470 0.75 KDM4E (0.43) XDHKDM4ETSHRMAPTRAB9A
SCHEMBL6080363 0.72 HCAR2 (0.42) GPR35HCAR2KDM4EMAPTRAB9A

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 XDH 128/4885GPR35 1071/4885HCAR2 3606/4885

“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.