SCHEMBL733546

SCHEMBL733546

COc1ccc2c(c1)CC(C(=O)N1C[C@@H](C)O[C@@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 7/20 0.61
KCNH2 Q12809 7/20 0.56
CYP3A4 P08684 3/20 0.56
SCN5A Q14524 2/20 0.56
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SCN9A Q15858 6/20 0.42

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
SCHEMBL4830180 0.92 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940575 0.92 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4023851 0.91 NR1I2 (0.59) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940566 0.90 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940482 0.90 NR1I2 (0.59) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940391 0.90 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL3893542 0.89 NR1I2 (0.61) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940555 0.89 NR1I2 (0.56) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL825158 0.89 NR1I2 (0.61) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940650 0.88 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9

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
EP-2268643-B1 DIOXOLANE AND DIOXOLANONE FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-08-06 EP disclosed
US-8138171-B2 Dioxolane and dioxolanone fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-20 US disclosed
US-20110020277-A1 Dioxolane and Dioxolanone Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-27 US disclosed
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

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-20110020277-A1 Dioxolane and Dioxolanone Fused Indolobenzadiazepine HCV NS5B Inhibitors SQLE, DHX15, FDFT1 NR1I2 194/4885KCNH2 1097/4885CYP3A4 257/4885

“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.