SCHEMBL4828013

SCHEMBL4828013

COc1ccc2c(c1)C=C(C(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 5/20 0.68
KCNH2 Q12809 7/20 0.52
SCN9A Q15858 8/20 0.52
SCN5A Q14524 3/20 0.45
CYP3A4 P08684 2/20 0.45

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
SCHEMBL13940106 0.93 NR1I2 (0.67) NR1I2KCNH2SCN9ASCN5ACYP3A4
SCHEMBL14435700 0.92 NR1I2 (0.66) NR1I2KCNH2SCN9ASCN5ACYP3A4
SCHEMBL13940670 0.92 NR1I2 (0.67) NR1I2KCNH2SCN9ASCN5ACYP3A4
SCHEMBL13936891 0.92 NR1I2 (0.81) NR1I2KCNH2SCN9ASCN5ACYP3A4
SCHEMBL13940672 0.92 NR1I2 (0.67) NR1I2KCNH2SCN9ASCN5ACYP3A4
SCHEMBL3967094 0.91 NR1I2 (0.58) NR1I2KCNH2SCN9ASCN5ACYP3A4
SCHEMBL13937015 0.91 NR1I2 (0.57) NR1I2KCNH2SCN9ASCN5ACYP3A4
SCHEMBL13937014 0.91 NR1I2 (0.57) NR1I2KCNH2SCN9ASCN5ACYP3A4
SCHEMBL13940103 0.90 NR1I2 (0.64) NR1I2KCNH2SCN9ASCN5ACYP3A4
SCHEMBL50868 0.89 KCNH2 (0.56) NR1I2KCNH2SCN9ASCN5ACYP3A4

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
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US claimed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US claimed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 NR1I2 1013/4885KCNH2 4176/4885SCN9A 4635/4885

“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.