SCHEMBL7061980

SCHEMBL7061980

COc1cc2sc(C(=O)Nc3nnn[nH]3)c(Sc3cccc(O)c3)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
KIF5B P33176 1/20 0.40
KDR P35968 1/20 0.40
EDNRA P25101 2/20 0.38
F10 P00742 1/20 0.33
MPO P05164 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
EDNRB P24530 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIK3CD O00329 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL6811636 0.94 EDNRA (0.36) RETKIF5BKDREDNRAF10
SCHEMBL6812848 0.92 EDNRA (0.47) KDREDNRAMPOCYSLTR1EDNRB
SCHEMBL6817003 0.92 EDNRA (0.41) KDREDNRAMPOCYSLTR1EDNRB
SCHEMBL6808644 0.91 PDGFRA (0.35) KDREDNRAMPOCYSLTR1MEN1
SCHEMBL6812328 0.90 EGFR (0.39) KDREDNRAF10EDNRBMEN1
SCHEMBL4876565 0.90 EDNRA (0.37) KDREDNRAMEN1POLBTSHR
SCHEMBL6812764 0.88 AURKB (0.33) KDREDNRAMPOCYSLTR1MEN1
SCHEMBL6811712 0.88 BRAF (0.42) KDREDNRABRAF
SCHEMBL6811963 0.86 KDM4E (0.39) KDREDNRAMPOCYSLTR1POLB
SCHEMBL6812307 0.86 KMT2A (0.39) KDRF10MEN1KMT2ASMN1; 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 RET 897/4885KIF5B 4766/4885KDR 1100/4885

“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.