SCHEMBL5223263

SCHEMBL5223263

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
SCN9A Q15858 4/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
P2RX3 P56373 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ACP1 P24666 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL5256740 0.93 KCNH2 (0.36) KCNH2HRH3PRKCAMMP12TRPV4
SCHEMBL5218646 0.90 KCNH2 (0.39) KCNH2HRH3PRKCAMMP12TRPV4
SCHEMBL5225994 0.90 ALDH1A1 (0.38) KCNH2HRH3MMP12SCN9AKDM4E
SCHEMBL5197919 0.88 KCNH2 (0.38) KCNH2HRH3PRKCAMMP12TRPV4
SCHEMBL10293467 0.88 KCNH2 (0.35) KCNH2HRH3TRPV4SCN9AMEN1
SCHEMBL5222250 0.86 GCGR (0.35) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL10293509 0.86 KCNH2 (0.34) KCNH2HRH3SCN9AL3MBTL1KDM4E
SCHEMBL5198317 0.86 KCNH2 (0.42) KCNH2HRH3PRKCAMMP12SCN9A
SCHEMBL5218711 0.86 KCNH2 (0.40) KCNH2HRH3PRKCAMMP12
SCHEMBL5220941 0.85 KCNH2 (0.37) 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 8 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
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
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.