SCHEMBL753632

SCHEMBL753632

COc1ccc2c(c1)C=C(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 10/20 0.68
KCNH2 Q12809 7/20 0.68
CYP3A4 P08684 3/20 0.64
SCN5A Q14524 2/20 0.64
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SCN9A Q15858 3/20 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
SCHEMBL13791670 0.98 NR1I2 (0.66) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13791115 0.97 KCNH2 (0.69) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13792497 0.95 NR1I2 (0.61) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13792409 0.92 KCNH2 (0.65) NR1I2KCNH2CYP3A4SCN5ASCN9A
SCHEMBL14070222 0.92 NR1I2 (0.59) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13791972 0.91 KCNH2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13791943 0.91 NR1I2 (0.67) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL50562 0.91 KCNH2 (0.68) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4828051 0.91 NR1I2 (0.63) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940550 0.89 NR1I2 (0.66) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
US-8138171-B2 Dioxolane and dioxolanone fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-20 US 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-20110020277-A1 Dioxolane and Dioxolanone Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-27 US disclosed
US-7541351-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-7541351-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-20080171015-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
US-20080171015-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 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 (2 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
US-20080171015-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 NR1I2 189/4885KCNH2 3808/4885CYP3A4 214/4885

“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.