SCHEMBL6079844

SCHEMBL6079844

Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)nc3c(O)cccc23)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.56
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
GAA P10253 2/20 0.56
GFER P55789 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
HSP90AA1 P07900 1/20 0.53
RAB9A P51151 1/20 0.53
ADAM17 P78536 1/20 0.53
KLF5 Q13887 1/20 0.53
EP300 Q09472 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT8 Q9H7Z6 1/20 0.51
PKM P14618 1/20 0.51
HKDC1 Q2TB90 3/20 0.48
KEAP1 Q14145 2/20 0.48

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
SCHEMBL6079908 0.89 TDP1 (0.54) TDP1ALDH1A1NPC1GAAGFER
SCHEMBL6596180 0.88 KMT2A (0.49) TDP1ALDH1A1NPC1GAAGFER
SCHEMBL6595549 0.85 TDP1 (0.48) TDP1ALDH1A1NPC1GAAGFER
SCHEMBL6592682 0.85 TDP1 (0.48) TDP1ALDH1A1NPC1GAAGFER
SCHEMBL6592918 0.81 CYP19A1 (0.52) TDP1ALDH1A1NPC1GAAGFER
SCHEMBL6079913 0.78 HKDC1 (0.51) TDP1ALDH1A1NPC1GAAGFER
SCHEMBL6080618 0.77 FFAR4 (0.51) TDP1ALDH1A1NPC1GAAGFER
SCHEMBL26054047 0.76 MMP2 (0.81) TDP1ALDH1A1HTTKMT2AMEN1
SCHEMBL5307424 0.73 EP300 (0.83) TDP1ALDH1A1NPC1GAAGFER
SCHEMBL6079853 0.73 CYP19A1 (0.51) TDP1NPC1KMT2AMEN1HSP90AA1

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 TDP1 2264/4885ALDH1A1 2726/4885NPC1 1911/4885

“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.