SCHEMBL5198317

SCHEMBL5198317

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4Cc4ccc(C(=O)O)cc4)ccc3n2)s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
HRH3 Q9Y5N1 3/20 0.42
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
FABP4 P15090 1/20 0.35
NOX4 Q9NPH5 1/20 0.34
PPARG P37231 3/20 0.34
ALOX5AP P20292 1/20 0.33
CCR3 P51677 1/20 0.33
PTAFR P25105 1/20 0.33
TP53 P04637 1/20 0.33
SCN9A Q15858 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
SCHEMBL5218711 0.96 KCNH2 (0.40) KCNH2HRH3PRKCAMMP12FABP4
SCHEMBL5197266 0.95 KCNH2 (0.39) KCNH2HRH3PRKCAMMP12FABP4
SCHEMBL27711026 0.93 HRH3 (0.46) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5218646 0.91 KCNH2 (0.39) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5219738 0.90 GLP1R (0.37) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5199310 0.90 MAPT (0.38) KCNH2HRH3PRKCAMMP12FABP4
SCHEMBL27690965 0.89 KCNH2 (0.43) KCNH2HRH3PRKCAMMP12
SCHEMBL5197919 0.89 KCNH2 (0.38) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5197064 0.88 PRKCA (0.40) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5196238 0.87 SCN9A (0.40) KCNH2HRH3PRKCAMMP12SCN9A

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 3113/4885PRKCA 4500/4885

“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.