SCHEMBL5224042

SCHEMBL5224042

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cc(Br)c4nc(-c5sc(C)nc5C)ccc4c3)n(CC(=O)N3CCOCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.35
NR1I2 O75469 1/20 0.33
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BRD4 O60885 2/20 0.31
CREBBP Q92793 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL5225807 0.93 SCN9A (0.35) SCN9ANR1I2GRIN2BBRD4CREBBP
SCHEMBL5228362 0.93 SCN9A (0.35) SCN9ANR1I2GRIN1GRIN2BRXFP1
SCHEMBL5297528 0.91 LMNA (0.35) SCN9ANR1I2ALDH1A1LMNAHPGD
SCHEMBL5197809 0.90 SCN9A (0.36) SCN9ANR1I2GRIN1GRIN2BRXFP1
SCHEMBL5934856 0.86 SCN9A (0.35) SCN9ANR1I2GRIN2BALDH1A1BRD4
SCHEMBL5196795 0.86 SCN9A (0.35) SCN9ANR1I2GRIN2BBRD4CREBBP
SCHEMBL5934800 0.84 SCN9A (0.34) SCN9ANR1I2GRIN2BKDM4EALDH1A1
SCHEMBL5196593 0.82 KCNH2 (0.37) SCN9ANR1I2GRIN2BBRD4CREBBP
SCHEMBL29532555 0.82 KCNH2 (0.37) SCN9ANR1I2GRIN2BBRD4CREBBP
SCHEMBL5198484 0.82 KCNH2 (0.37) SCN9ANR1I2GRIN2BBRD4CREBBP

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 4015/4885NR1I2 95/4885GRIN1 2140/4885

“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.