SCHEMBL6812848

SCHEMBL6812848

COc1cccc(Sc2c(C(=O)Nc3nnn[nH]3)sc3cc(OC)c(OC)cc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.47
EDNRB P24530 3/20 0.40
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 0.38
TUBB8 Q3ZCM7 3/20 0.38
TUBA3E Q6PEY2 3/20 0.38
TUBA1A Q71U36 3/20 0.38
TUBA1C Q9BQE3 3/20 0.38
TUBB6 Q9BUF5 3/20 0.38
TUBB2B Q9BVA1 3/20 0.38
TUBB1 Q9H4B7 3/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MPO P05164 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
SCHEMBL6811970 0.94 EDNRA (0.45) EDNRAEDNRBTUBB4ATUBBTUBA3C
SCHEMBL4791805 0.94 EDNRA (0.45) EDNRAEDNRBTUBB4ATUBBTUBA3C
SCHEMBL6817003 0.93 EDNRA (0.41) EDNRAEDNRBTUBB4ATUBBTUBA3C
SCHEMBL7061980 0.92 RET (0.40) EDNRAEDNRBTUBB4ATUBBTUBA3C
SCHEMBL6812328 0.91 EGFR (0.39) EDNRAEDNRBTUBB4ATUBBTUBA3C
SCHEMBL6812788 0.91 EDNRA (0.51) EDNRATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4876565 0.90 EDNRA (0.37) EDNRATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6811712 0.89 BRAF (0.42) EDNRARXFP1KDRMAPT
SCHEMBL6808644 0.88 PDGFRA (0.35) EDNRATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6812764 0.87 AURKB (0.33) EDNRAMPOCYSLTR1MEN1KMT2A

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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 US claimed
US-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents SULT2A1, SULT1A1, SULT1E1 EDNRA 2482/4885EDNRB 1838/4885TUBB4A 3134/4885

“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.