SCHEMBL923409

SCHEMBL923409

CN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)Cc1nncn1-c1ccccc1-3

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 8/20 0.58
KCNH2 Q12809 4/20 0.47
CYP3A4 P08684 3/20 0.47
SCN5A Q14524 2/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SCN9A Q15858 7/20 0.43
PRKCA P17252 1/20 0.40
MMP12 P39900 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
SCHEMBL924211 0.88 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL923616 0.87 NR1I2 (0.57) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL924289 0.86 NR1I2 (0.58) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL923740 0.85 NR1I2 (0.40) NR1I2KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL923609 0.85 PRKCA (0.47) NR1I2CYP3A4CYP2C9CYP2C19SCN9A
SCHEMBL14253273 0.83 NR1I2 (0.62) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL4831416 0.80 NR1I2 (0.60) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14253480 0.80 NR1I2 (0.59) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL13940063 0.79 NR1I2 (0.74) NR1I2KCNH2CYP3A4SCN5ACYP2C9
SCHEMBL14435391 0.79 NR1I2 (0.58) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431568-B2 Aromatic heterocyclic fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
US-8431568-B2 Aromatic heterocyclic fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
US-8431568-B2 Aromatic heterocyclic fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
EP-2278977-B1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-11-02 EP disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 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-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors HAVCR2, NSD2, ZC3HAV1 NR1I2 246/4885KCNH2 876/4885CYP3A4 100/4885

“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.