SCHEMBL6817004

SCHEMBL6817004

COc1cc2sc(C(=O)Nc3nnn[nH]3)c(Sc3ccoc3C)c2cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 2/20 0.35
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
KDM4E B2RXH2 4/20 0.34
TP53 P04637 2/20 0.34
PKM P14618 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RECQL P46063 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
KMT2A Q03164 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL6811630 0.90 MPO (0.40) HSD17B10HPGDGAAICAM1SELE
SCHEMBL7063957 0.86 NPC1 (0.35) ICAM1SELESMN1; SMN2KDM4ERAB9A
SCHEMBL6812396 0.85 MAPT (0.37) HPGDICAM1SELESMN1; SMN2KDM4E
SCHEMBL4790749 0.85 L3MBTL1 (0.37) GAASMN1; SMN2KDM4ETP53ALDH1A1
SCHEMBL6811963 0.83 KDM4E (0.39) HSD17B10HPGDICAM1SELESMN1; SMN2
SCHEMBL6817003 0.83 EDNRA (0.41) HPGDSMN1; SMN2KDM4ETP53ALDH1A1
SCHEMBL6812595 0.83 MEN1 (0.33) HSD17B10SMN1; SMN2KDM4ETP53ALDH1A1
SCHEMBL6808644 0.82 PDGFRA (0.35) HSD17B10HPGDSMN1; SMN2TP53PKM
SCHEMBL6817008 0.82 STING1 (0.36) GAASMN1; SMN2KDM4ETP53PKM
SCHEMBL6812307 0.81 KMT2A (0.39) SMN1; SMN2KDM4ETP53PKMALDH1A1

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 HSD17B10 769/4885HPGD 3814/4885GAA 3537/4885

“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.