SCHEMBL6811954

SCHEMBL6811954

COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(Sc3ccc(Cl)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
MAPT P10636 5/20 0.40
CTSD P07339 2/20 0.39
TP53 P04637 4/20 0.39
EDNRA P25101 1/20 0.38
UBE2N P61088 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 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
SCHEMBL6812158 0.92 MPO (0.44) MPOCYSLTR1MAPTCTSDTP53
SCHEMBL6813174 0.91 EDNRA (0.43) MPOCYSLTR1MAPTTP53EDNRA
SCHEMBL6811772 0.91 EDNRA (0.48) MPOCYSLTR1MAPTTP53EDNRA
SCHEMBL6812307 0.89 KMT2A (0.39) MAPTTP53TUBB4ATUBBTUBA3C
SCHEMBL6812788 0.89 EDNRA (0.51) MPOCYSLTR1MAPTTP53EDNRA
SCHEMBL6816998 0.86 MPO (0.41) MPOCYSLTR1MAPTTP53EDNRA
SCHEMBL6812512 0.85 MPO (0.41) MPOCYSLTR1MAPTTP53ALDH1A1
SCHEMBL6817014 0.84 MPO (0.42) MPOCYSLTR1MAPTTP53EDNRA
SCHEMBL6812674 0.84 MPO (0.40) MPOCYSLTR1MAPTEDNRAPRSS12
SCHEMBL9246108 0.83 MPO (0.48) MPOCYSLTR1MAPTTP53UBE2N

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-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 MPO 3227/4885CYSLTR1 45/4885MAPT 3989/4885

“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.