SCHEMBL6811963

SCHEMBL6811963

COc1cc2sc(C(=O)Nc3nnn[nH]3)c(Sc3ccc(C)c(C)c3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
PIK3CD O00329 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.34
MPO P05164 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
PDGFRA P16234 1/20 0.33
KDR P35968 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 2/20 0.32
MITF O75030 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PTGER3 P43115 1/20 0.32
ESR1 P03372 1/20 0.32
EDNRA P25101 1/20 0.32
HPGD P15428 2/20 0.32
STING1 Q86WV6 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
SCHEMBL6808644 0.90 PDGFRA (0.35) PIK3CDSMN1; SMN2LMNAPOLBPKM
SCHEMBL6812307 0.89 KMT2A (0.39) KDM4ESMN1; SMN2LMNAPKMPDGFRA
SCHEMBL6812764 0.89 AURKB (0.33) PIK3CDSMN1; SMN2POLBPKMMPO
SCHEMBL6817003 0.89 EDNRA (0.41) KDM4EPIK3CDSMN1; SMN2LMNAPOLB
SCHEMBL5793171 0.88 PIK3CD (0.40) KDM4EPIK3CDSMN1; SMN2LMNAPOLB
SCHEMBL6808640 0.88 STING1 (0.35) PIK3CDLMNAPKMMPOCYSLTR1
SCHEMBL4792469 0.88 PIK3CD (0.40) KDM4EPIK3CDPKMMPOCYSLTR1
SCHEMBL6808606 0.88 PIK3CD (0.36) KDM4EPIK3CDPKMMPOCYSLTR1
SCHEMBL6812848 0.87 EDNRA (0.47) LMNAMPOCYSLTR1KDRL3MBTL1
SCHEMBL7063957 0.86 NPC1 (0.35) KDM4EPIK3CDSMN1; SMN2LMNAPOLB

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 KDM4E 3209/4885PIK3CD 3754/4885SMN1; SMN2 3612/4885

“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.