SCHEMBL974653

SCHEMBL974653

Cc1c(Cc2cccnc2)c(=O)oc2cc(O)c(Cl)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.56
KDM4E B2RXH2 5/20 0.51
GLA P06280 3/20 0.51
GAA P10253 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ERAP1 Q9NZ08 2/20 0.51
HSD17B3 P37058 1/20 0.51
MAP2K1 Q02750 6/20 0.51
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAF1 P04049 5/20 0.47
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46

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
SCHEMBL972660 0.86 MAPT (0.53) KDM4EGLAGAANPSR1ERAP1
SCHEMBL972802 0.86 KDM4E (0.67) KDM4EGLAGAANPSR1ERAP1
SCHEMBL972346 0.82 MAP2K1 (0.53) VKORC1KDM4EGLAGAAMAP2K1
SCHEMBL959616 0.81 MAP2K1 (0.68) KDM4EGLAGAANPSR1ERAP1
SCHEMBL5649508 0.80 TP53 (0.53) KDM4EGLAGAANPSR1ERAP1
SCHEMBL961165 0.80 TP53 (0.49) KDM4EGLAGAANPSR1ERAP1
SCHEMBL14249949 0.79 MAP2K1 (0.54) KDM4EGLAGAANPSR1ERAP1
SCHEMBL962318 0.78 MAP2K1 (0.60) KDM4EGLAGAANPSR1ERAP1
SCHEMBL7797770 0.76 KDM4E (0.74) KDM4EGLAGAANPSR1ERAP1
SCHEMBL959708 0.75 TP53 (0.47) KDM4EGLAGAANPSR1ERAP1

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 VKORC1 336/4885KDM4E 4511/4885GLA 820/4885
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A VKORC1 318/4885KDM4E 4508/4885GLA 753/4885
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A VKORC1 318/4885KDM4E 4508/4885GLA 753/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A VKORC1 370/4885KDM4E 4567/4885GLA 1478/4885

“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.