SCHEMBL972660

SCHEMBL972660

Cc1c(Cc2ccncc2)c(=O)oc2cc(O)c(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TP53 P04637 2/20 0.53
KDM4E B2RXH2 5/20 0.52
GAA P10253 3/20 0.52
GLA P06280 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
ERAP1 Q9NZ08 2/20 0.52
HSD17B3 P37058 1/20 0.52
MAP2K1 Q02750 5/20 0.52
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MCL1 Q07820 2/20 0.48
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL972802 0.88 KDM4E (0.67) MAPTTP53KDM4EGAAGLA
SCHEMBL974653 0.86 VKORC1 (0.56) MAPTTP53KDM4EGAAGLA
SCHEMBL961165 0.85 TP53 (0.49) MAPTTP53KDM4EGAAGLA
SCHEMBL971877 0.82 MAP2K1 (0.63) MAPTKDM4EGAAGLAMAP2K1
SCHEMBL5649508 0.81 TP53 (0.53) MAPTTP53KDM4EGAAGLA
SCHEMBL959616 0.81 MAP2K1 (0.68) MAPTTP53KDM4EGAAGLA
SCHEMBL2249678 0.80 MAP2K1 (0.82) MAP2K1RAF1
SCHEMBL9211053 0.79 MCL1 (0.63) MAPTTP53KDM4EGAAGLA
SCHEMBL14249949 0.78 MAP2K1 (0.54) MAPTTP53KDM4EGAAGLA
SCHEMBL962318 0.77 MAP2K1 (0.60) MAPTTP53KDM4EGAAGLA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994318-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-08-09 US disclosed
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 US disclosed
US-7709664-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-7026491-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-11 US disclosed
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-01-26 US disclosed
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-20 US disclosed
WO-2002008217-A2 COUMARIN DERIVATIVES USEFUL AS TNFα INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-31 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 (4 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-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors TNF, NFKBIA, TNFRSF1A MAPT 3071/4885TP53 1082/4885KDM4E 4511/4885
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A MAPT 3170/4885TP53 1276/4885KDM4E 4508/4885
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A MAPT 3170/4885TP53 1276/4885KDM4E 4508/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A MAPT 3488/4885TP53 1564/4885KDM4E 4567/4885

“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.