SCHEMBL6811630

SCHEMBL6811630

COc1ccc2sc(C(=O)Nc3nnn[nH]3)c(Sc3ccoc3C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
NPC1 O15118 8/20 0.39
RAB9A P51151 8/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 3/20 0.39
PKM P14618 2/20 0.39
RECQL P46063 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ICAM1 P05362 3/20 0.35
SELE P16581 3/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6817004 0.90 HSD17B10 (0.35) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL7062988 0.86 MPO (0.41) MPOCYSLTR1NPC1RAB9ATP53
SCHEMBL6817014 0.86 MPO (0.42) MPOCYSLTR1NPC1RAB9ASMN1; SMN2
SCHEMBL6816998 0.83 MPO (0.41) MPOCYSLTR1NPC1RAB9ASMN1; SMN2
SCHEMBL6811895 0.83 MPO (0.41) MPOCYSLTR1NPC1RAB9ASMN1; SMN2
SCHEMBL6811772 0.83 EDNRA (0.48) MPOCYSLTR1NPC1RAB9ATP53
SCHEMBL6812788 0.83 EDNRA (0.51) MPOCYSLTR1NPC1RAB9ASMN1; SMN2
SCHEMBL6812158 0.82 MPO (0.44) MPOCYSLTR1TP53ICAM1SELE
SCHEMBL6812674 0.82 MPO (0.40) MPOCYSLTR1PKMALDH1A1KDM4E
SCHEMBL6811954 0.81 MPO (0.44) MPOCYSLTR1NPC1RAB9ASMN1; SMN2

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 45/4885NPC1 968/4885

“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.