SCHEMBL13940103

SCHEMBL13940103

COc1ccc2c(c1)C=C(C(=O)N1CCOCC1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N3CCN(C)CC3)cc21

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 7/20 0.64
KCNH2 Q12809 7/20 0.47
CYP3A4 P08684 3/20 0.46
SCN5A Q14524 2/20 0.46
SCN9A Q15858 6/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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 0.96 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940672 0.95 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940670 0.95 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL4143315 0.92 NR1I2 (0.54) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940370 0.92 NR1I2 (0.54) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940085 0.90 NR1I2 (0.79) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL4828013 0.90 NR1I2 (0.68) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL3945408 0.90 NR1I2 (0.55) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940999 0.89 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL13940997 0.89 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ASCN9A

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-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-7473688-B2 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-06 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 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-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B NR1I2 168/4885KCNH2 356/4885CYP3A4 25/4885

“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.