SCHEMBL5224034

SCHEMBL5224034

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCCC4C)ccc3n2)s1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.43
HRH3 Q9Y5N1 11/20 0.43
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
TSHR P16473 1/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
SCN9A Q15858 1/20 0.31

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
SCHEMBL5218899 0.90 KCNH2 (0.39) KCNH2HRH3TLR9TLR8TLR7
SCHEMBL5218646 0.90 KCNH2 (0.39) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5197510 0.89 KCNH2 (0.38) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5220941 0.89 KCNH2 (0.37) KCNH2HRH3TLR9TLR8TLR7
SCHEMBL5196593 0.88 KCNH2 (0.37) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5222234 0.88 KCNH2 (0.37) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL29532555 0.88 KCNH2 (0.37) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL4875594 0.87 KCNH2 (0.44) KCNH2HRH3TLR9TLR8TLR7
SCHEMBL5197919 0.87 KCNH2 (0.38) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5198039 0.87 TP53 (0.40) KCNH2HRH3TSHRPRKCAMMP12

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO claimed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 KCNH2 3202/4885HRH3 3113/4885TLR9 3069/4885

“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.