SCHEMBL971877

SCHEMBL971877

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.63
RAF1 P04049 16/20 0.58
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL972168 0.90 MAP2K1 (0.78) MAP2K1RAF1KDM4EALDH1A1KMT2A
SCHEMBL2249678 0.88 MAP2K1 (0.82) MAP2K1RAF1
SCHEMBL972660 0.82 MAPT (0.53) MAP2K1RAF1KDM4EALDH1A1GLA
SCHEMBL973637 0.80 MAP2K1 (0.82) MAP2K1RAF1KDM4EALDH1A1KMT2A
SCHEMBL962917 0.78 MAP2K1 (0.75) MAP2K1RAF1
SCHEMBL960175 0.78 MAP2K1 (1.00) MAP2K1RAF1
SCHEMBL972746 0.77 MAP2K1 (0.60) MAP2K1RAF1KDM4EALDH1A1KMT2A
SCHEMBL970908 0.75 MAP2K1 (0.59) MAP2K1RAF1KDM4EALDH1A1KMT2A
SCHEMBL972380 0.74 MAP2K1 (0.64) MAP2K1RAF1KDM4EALDH1A1KMT2A
SCHEMBL960942 0.74 MAP2K1 (1.00) MAP2K1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 US 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-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A MAP2K1 3808/4885RAF1 699/4885KDM4E 4508/4885

“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.