SCHEMBL6080939

SCHEMBL6080939

N#Cc1cc(Br)cc2c(O)cc(C(=O)O)nc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.34
XDH P47989 2/20 0.33
MCL1 Q07820 2/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
F11 P03951 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6080128 0.84 GAA (0.39) KDM4EMAPTTDP1KMT2AALDH1A1
SCHEMBL6080581 0.82 GPR35 (0.39) GPR35MCL1DHODHKDM4EMAPT
SCHEMBL6591404 0.81 GPR35 (0.35) GPR35XDHKDM4EMAPTRAB9A
SCHEMBL6080290 0.80 MCL1 (0.40) XDHMCL1KDM4ETDP1F11
SCHEMBL6080495 0.80 XDH (0.35) GPR35XDHKDM4EMAPTRAB9A
SCHEMBL6080470 0.78 KDM4E (0.43) XDHKDM4EMAPTRAB9ATDP1
SCHEMBL6598349 0.78 GPR35 (0.39) GPR35MCL1DHODHKDM4EMAPT
SCHEMBL6080460 0.77 XDH (0.38) XDHKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL6593220 0.77 GPR35 (0.35) GPR35KDM4EMAPTRAB9ATDP1
SCHEMBL6592622 0.75 XDH (0.51) XDHMCL1

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 GPR35 1071/4885XDH 128/4885MCL1 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.