SCHEMBL6313751

SCHEMBL6313751

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3c2sc2ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.59
EDNRA P25101 4/20 0.48
RXFP1 Q9HBX9 3/20 0.45
TP53 P04637 5/20 0.44
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
PTPN1 P18031 3/20 0.40

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
SCHEMBL6313613 0.86 EDNRB (0.49) EDNRBEDNRATP53LMNAMAPT
SCHEMBL6316175 0.84 EDNRB (0.81) EDNRBEDNRAMAPT
SCHEMBL795096 0.83 EDNRB (0.62) EDNRBEDNRATP53
SCHEMBL8550228 0.79 EDNRB (0.85) EDNRBEDNRA
SCHEMBL8548527 0.79 EDNRB (0.73) EDNRBEDNRATP53MAPT
SCHEMBL8550885 0.78 EDNRB (0.74) EDNRBEDNRATP53MAPT
SCHEMBL6663213 0.78 EDNRB (0.44) EDNRBEDNRALMNAMAPTPTPN1
SCHEMBL8553793 0.77 EDNRB (0.70) EDNRBEDNRATP53MAPT
SCHEMBL8551430 0.77 EDNRB (0.80) EDNRBEDNRA
SCHEMBL8553492 0.77 EDNRB (0.64) EDNRBEDNRATP53

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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US claimed
US-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases EDNRA, EDNRB, ECE1 EDNRB 2/4885EDNRA 1/4885RXFP1 97/4885

“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.