SCHEMBL5223103

SCHEMBL5223103

Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc(C(=O)O)cc5n4C(=O)N4CCOCC4)ccc3n2)s1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.37
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
EGLN1 Q9GZT9 1/20 0.35
PRKCA P17252 1/20 0.34
MMP12 P39900 1/20 0.34
NR1I2 O75469 1/20 0.34
HPGD P15428 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.31
ACP1 P24666 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
SCHEMBL5196593 0.89 KCNH2 (0.37) SCN9AKCNH2HRH3EGLN1PRKCA
SCHEMBL29532555 0.89 KCNH2 (0.37) SCN9AKCNH2HRH3EGLN1PRKCA
SCHEMBL5196238 0.87 SCN9A (0.40) SCN9AKCNH2HRH3EGLN1PRKCA
SCHEMBL5221066 0.84 TP53 (0.36) SCN9AKCNH2HRH3EGLN1PRKCA
SCHEMBL5218646 0.83 KCNH2 (0.39) SCN9AKCNH2HRH3PRKCAMMP12
SCHEMBL5934565 0.83 PRKCA (0.35) SCN9AKCNH2HRH3EGLN1PRKCA
SCHEMBL5198484 0.83 KCNH2 (0.37) SCN9AKCNH2HRH3NR1I2TP53
SCHEMBL5934559 0.83 KCNH2 (0.37) SCN9AKCNH2HRH3NR1I2
SCHEMBL5225994 0.82 ALDH1A1 (0.38) SCN9AKCNH2HRH3MMP12HPGD
SCHEMBL5198317 0.82 KCNH2 (0.42) 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 5 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
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 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-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 SCN9A 4015/4885KCNH2 3202/4885HRH3 3113/4885

“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.