SCHEMBL6313759

SCHEMBL6313759

COc1ccc(-c2c(C(=O)O)n(Cc3ccc4nsnc4c3)c3cc4cccsc-4c23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.62
EDNRA P25101 5/20 0.50
MAPT P10636 3/20 0.42
PPARG P37231 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
CNR2 P34972 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGES O14684 1/20 0.36

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
SCHEMBL6313623 0.86 EDNRB (0.51) EDNRBEDNRAPPARGALDH1A1KDM4E
SCHEMBL6316183 0.84 EDNRB (0.61) EDNRBEDNRAPPARGSMN1; SMN2KDM4E
SCHEMBL6315758 0.84 EDNRB (0.61) EDNRBEDNRAMAPTPPARGSMN1; SMN2
SCHEMBL8553492 0.83 EDNRB (0.64) EDNRBEDNRAPPARGTP53PTGES
SCHEMBL8551194 0.83 EDNRB (0.64) EDNRBEDNRATP53PTGES
SCHEMBL8547579 0.82 EDNRB (0.64) EDNRBEDNRAMAPTSMN1; SMN2MEN1
SCHEMBL8550228 0.81 EDNRB (0.85) EDNRBEDNRA
SCHEMBL8548527 0.81 EDNRB (0.73) EDNRBEDNRAMAPTTP53
SCHEMBL8553006 0.80 EDNRB (0.62) EDNRBEDNRAALDH1A1KDM4EHPGD
SCHEMBL8550885 0.80 EDNRB (0.74) EDNRBEDNRAMAPTSMN1; SMN2TP53

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-20050014769-A1 Use of endothelin receptor antogonists for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2005-01-20 US claimed

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 1/4885MAPT 4128/4885

“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.