Sugi Predict

Sugi Predict / Compounds / SCHEMBL4024840

SCHEMBL4024840

SCHEMBL4024840

O=C(O)C1=Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N4CCOCC4)cc3n2C1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 9/20 0.70
▸ SCN9A Q15858 8/20 0.47
▸ PRKCA P17252 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL13940080 0.93 NR1I2 (0.82) NR1I2SCN9APRKCAMMP12GAA
SCHEMBL3936971 0.92 NR1I2 (0.69) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL13936889 0.90 NR1I2 (0.81) NR1I2SCN9APRKCAMMP12SCN5A
SCHEMBL4143309 0.89 NR1I2 (0.77) NR1I2SCN9APRKCAMMP12SCN5A
SCHEMBL3940118 0.89 NR1I2 (0.73) NR1I2SCN9APRKCAMMP12KDM4E
SCHEMBL13940088 0.89 NR1I2 (0.73) NR1I2SCN9APRKCAMMP12KCNH2
SCHEMBL13940997 0.89 NR1I2 (0.58) NR1I2SCN9ACYP3A4CYP2C9CYP2C19
SCHEMBL3941278 0.88 NR1I2 (0.73) NR1I2SCN9APRKCAMMP12KDM4E
SCHEMBL13940085 0.88 NR1I2 (0.79) NR1I2SCN9ACYP3A4SCN5AKCNH2
SCHEMBL14253885 0.87 NR1I2 (0.65) NR1I2SCN9APRKCAMMP12SCN5A

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-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-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
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 168/4885SCN9A 362/4885PRKCA 3560/4885

“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.