SCHEMBL6712119

SCHEMBL6712119

COc1ccc(CN(C)C(=O)N[C@H](Oc2nc(OC)cc(OC)n2)C(C(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.45
EDNRA P25101 16/20 0.45
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL6708689 0.94 EDNRB (0.47) EDNRBEDNRA
SCHEMBL6712129 0.86 EDNRB (0.47) EDNRBEDNRA
SCHEMBL6707561 0.84 EDNRB (0.52) EDNRBEDNRA
SCHEMBL6712245 0.82 EDNRB (0.50) EDNRBEDNRA
SCHEMBL6707530 0.82 EDNRB (0.51) EDNRBEDNRA
SCHEMBL6709092 0.82 EDNRB (0.49) EDNRBEDNRA
SCHEMBL6712122 0.80 EDNRB (0.55) EDNRBEDNRA
SCHEMBL6708954 0.79 EDNRB (0.51) EDNRBEDNRATDP1
SCHEMBL6710286 0.79 EDNRB (0.55) EDNRBEDNRA
SCHEMBL6712227 0.77 EDNRB (0.51) EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040034076-A1 Novel carbamates and carbamides, production and use thereof as endothelin receptor antagonists ABBOTT GMBH & CO. KG (DE) 2004-02-19 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-20040034076-A1 Novel carbamates and carbamides, production and use thereof as endothelin receptor antagonists EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885TDP1 1794/4885

“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.