SCHEMBL971526

SCHEMBL971526

CCOC(=O)N(C(C)=O)c1cccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.59
RAF1 P04049 7/20 0.51
CYP2C9 P11712 3/20 0.49
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
BRAF P15056 2/20 0.48
MAP2K2 P36507 1/20 0.48
MAP2K5 Q13163 1/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL13342425 0.85 MAP2K1 (0.60) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1
SCHEMBL970190 0.80 MAP2K1 (0.70) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1
SCHEMBL971525 0.79 MAP2K1 (0.68) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1
SCHEMBL960703 0.79 MAP2K1 (0.70) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1
SCHEMBL31980592 0.79 MAP2K1 (0.70) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1
SCHEMBL12694056 0.78 MAP2K1 (0.69) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1
SCHEMBL959270 0.78 MAP2K1 (0.62) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1
SCHEMBL959667 0.76 MAP2K1 (0.70) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1
SCHEMBL960504 0.75 MAP2K1 (0.65) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1
SCHEMBL963772 0.75 MAP2K1 (0.64) MAP2K1RAF1CYP2C9CYP3A4ALDH1A1

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 MAP2K1 3709/4885RAF1 623/4885CYP2C9 1904/4885
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A MAP2K1 3808/4885RAF1 699/4885CYP2C9 1814/4885
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A MAP2K1 3808/4885RAF1 699/4885CYP2C9 1814/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A MAP2K1 3811/4885RAF1 1087/4885CYP2C9 2253/4885

“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.