SCHEMBL5196238

SCHEMBL5196238

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4CCN4CCOCC4)ccc3n2)s1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.40
PTGER4 P35408 2/20 0.39
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
GLP1R P43220 1/20 0.35
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
KDR P35968 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
CSNK2A1 P68400 1/20 0.34
CASR P41180 1/20 0.34

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
SCHEMBL5225994 0.92 ALDH1A1 (0.38) SCN9APTGER4KCNH2HRH3MMP12
SCHEMBL29532555 0.91 KCNH2 (0.37) SCN9APTGER4KCNH2HRH3PRKCA
SCHEMBL5196593 0.91 KCNH2 (0.37) SCN9APTGER4KCNH2HRH3PRKCA
SCHEMBL27711026 0.88 HRH3 (0.46) SCN9AKCNH2HRH3PRKCAMMP12
SCHEMBL5218646 0.88 KCNH2 (0.39) SCN9APTGER4KCNH2HRH3PRKCA
SCHEMBL5197064 0.88 PRKCA (0.40) SCN9AKCNH2HRH3PRKCAMMP12
SCHEMBL27690965 0.88 KCNH2 (0.43) PTGER4KCNH2HRH3PRKCAMMP12
SCHEMBL5221066 0.87 TP53 (0.36) SCN9AKCNH2HRH3PRKCAMMP12
SCHEMBL5934565 0.87 PRKCA (0.35) SCN9APTGER4KCNH2HRH3PRKCA
SCHEMBL5223103 0.87 SCN9A (0.37) SCN9AKCNH2HRH3PRKCAMMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US 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 4015/4885PTGER4 2744/4885KCNH2 3202/4885

“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.