SCHEMBL6812307

SCHEMBL6812307

COc1cc2sc(C(=O)Nc3nnn[nH]3)c(Sc3ccc(Cl)cc3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
F10 P00742 2/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
STING1 Q86WV6 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 3/20 0.35
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 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
SCHEMBL6808640 0.92 STING1 (0.35) KMT2AMEN1HTTRXFP1LMNA
SCHEMBL6808644 0.92 PDGFRA (0.35) KMT2AMEN1HTTRXFP1SMN1; SMN2
SCHEMBL6812328 0.91 EGFR (0.39) KMT2AMEN1HTTLMNAF10
SCHEMBL6817003 0.91 EDNRA (0.41) KMT2AMEN1RXFP1SMN1; SMN2KDM4E
SCHEMBL6811963 0.89 KDM4E (0.39) SMN1; SMN2KDM4EALDH1A1LMNANPC1
SCHEMBL6811954 0.89 MPO (0.44) KMT2AMEN1HTTSMN1; SMN2KDM4E
SCHEMBL6812764 0.89 AURKB (0.33) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL5794381 0.88 GLS (0.33) KMT2ARXFP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5791121 0.88 STING1 (0.36) KDM4EALDH1A1STING1PDGFRAKDR
SCHEMBL6812848 0.87 EDNRA (0.47) KMT2AMEN1RXFP1LMNAMAPT

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 KMT2A 2968/4885MEN1 3650/4885HTT 1431/4885

“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.