SCHEMBL5196878

SCHEMBL5196878

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CC(=O)N4CCOCC4)c(F)cc3n2)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
HRH1 P35367 1/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NR1I2 O75469 1/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 1/20 0.33
GRIN2B Q13224 2/20 0.32
GLP1R P43220 1/20 0.32
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HIF1A Q16665 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
SCHEMBL5225216 0.94 SCN9A (0.35) SCN9AHRH1PRKCAMMP12KCNH2
SCHEMBL5934936 0.92 SCN9A (0.34) SCN9APRKCAMMP12KCNH2HRH3
SCHEMBL5226638 0.91 PRKCA (0.35) SCN9AHRH1PRKCAMMP12KCNH2
SCHEMBL29532555 0.89 KCNH2 (0.37) SCN9APRKCAMMP12KCNH2HRH3
SCHEMBL5196593 0.89 KCNH2 (0.37) SCN9APRKCAMMP12KCNH2HRH3
SCHEMBL5198859 0.88 KCNH2 (0.34) HRH1KCNH2HRH3GRIN2BTMEM97
SCHEMBL5196795 0.87 SCN9A (0.35) SCN9AHRH1PRKCAMMP12NR1I2
SCHEMBL5934559 0.85 KCNH2 (0.37) SCN9AHRH1KCNH2HRH3NR1I2
SCHEMBL5221066 0.84 TP53 (0.36) SCN9APRKCAMMP12KCNH2HRH3
SCHEMBL5315389 0.84 SCN9A (0.40) SCN9APRKCAMMP12KCNH2NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN claimed
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 SCN9A 4015/4885HRH1 3066/4885PRKCA 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.