Sugi Predict

Sugi Predict / Compounds / SCHEMBL924718

SCHEMBL924718

SCHEMBL924718

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)Cc1nccn1-c1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.41
▸ NR1I2 O75469 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ CYP3A4 P08684 5/20 0.37
▸ CYP2C19 P33261 5/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ATM Q13315 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL924086 0.90 PRKCA (0.47) SCN9ANR1I2PRKCAMMP12CYP3A4
SCHEMBL923740 0.86 NR1I2 (0.40) SCN9ANR1I2PRKCAMMP12CYP3A4
SCHEMBL923665 0.86 NR1I2 (0.40) SCN9ANR1I2PRKCAMMP12CYP3A4
SCHEMBL3593523 0.86 NR1I2 (0.40) SCN9ANR1I2PRKCAMMP12CYP3A4
SCHEMBL924211 0.85 NR1I2 (0.58) SCN9ANR1I2PRKCAMMP12CYP3A4
SCHEMBL923492 0.83 NR1I2 (0.40) SCN9ANR1I2PRKCAMMP12CYP3A4
SCHEMBL4823223 0.81 NR1I2 (0.47) SCN9ANR1I2PRKCAMMP12CYP3A4
SCHEMBL3569189 0.79 SCN9A (0.45) SCN9ANR1I2PRKCAMMP12CYP3A4
SCHEMBL13936878 0.78 NR1I2 (0.43) SCN9ANR1I2PRKCAMMP12CYP3A4
SCHEMBL923845 0.77 NR1I2 (0.44) SCN9ANR1I2PRKCAMMP12NPSR1

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
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
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
WO-2009120650-A1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-01 — — 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-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors HAVCR2, NSD2, ZC3HAV1 SCN9A 167/4885NR1I2 246/4885PRKCA 3911/4885

“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.