SCHEMBL5197809

SCHEMBL5197809

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5sc(C)nc5C)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.36
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
GRIN2B Q13224 2/20 0.33
GRIN1 Q05586 1/20 0.33
NR1I2 O75469 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL29532555 0.93 KCNH2 (0.37) SCN9AKCNH2HRH3BRD4CREBBP
SCHEMBL5196593 0.93 KCNH2 (0.37) SCN9AKCNH2HRH3BRD4CREBBP
SCHEMBL5198484 0.92 KCNH2 (0.37) SCN9AKCNH2HRH3BRD4CREBBP
SCHEMBL5934559 0.92 KCNH2 (0.37) SCN9AKCNH2HRH3BRD4CREBBP
SCHEMBL5198391 0.90 SCN9A (0.43) SCN9AKCNH2HRH3BRD4CREBBP
SCHEMBL5199576 0.90 KCNH2 (0.38) SCN9AKCNH2HRH3L3MBTL1KDM4E
SCHEMBL10293490 0.90 KCNH2 (0.38) SCN9AKCNH2HRH3L3MBTL1KDM4E
SCHEMBL5224042 0.90 SCN9A (0.35) SCN9ABRD4CREBBPGRIN2BGRIN1
SCHEMBL5228362 0.90 SCN9A (0.35) SCN9ABRD4CREBBPGRIN2BGRIN1
SCHEMBL5221066 0.88 TP53 (0.36) SCN9AKCNH2HRH3BRD4CREBBP

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 3 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 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 4015/4885KCNH2 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.