Sugi Predict

Sugi Predict / Compounds / SCHEMBL3937533

SCHEMBL3937533

SCHEMBL3937533

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(NC(=O)N1CCC(N2CCOCC2)CC1)Cc1ccccc1-3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ L3MBTL3 Q96JM7 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R2 O00459 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PIK3R5 Q8WYR1 1/20 0.36
▸ PIK3R3 Q92569 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PRMT5 O14744 1/20 0.34

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
SCHEMBL13940155 0.94 PRKCA (0.48) PRKCAMMP12HRH3NR1I2PIK3CD
SCHEMBL13940189 0.94 PRKCA (0.48) PRKCAMMP12HRH3NR1I2PIK3CD
SCHEMBL4020494 0.94 PRKCA (0.48) PRKCAMMP12HRH3NR1I2PIK3CD
SCHEMBL3944738 0.93 NR1I2 (0.43) PRKCAMMP12HRH3NR1I2L3MBTL3
SCHEMBL4830154 0.87 PRKCA (0.51) PRKCAMMP12NR1I2L3MBTL3L3MBTL1
SCHEMBL13940153 0.86 NR1I2 (0.47) PRKCAMMP12HRH3NR1I2PIK3CD
SCHEMBL13940166 0.84 PRKCA (0.49) PRKCAMMP12HRH3NR1I2SCN9A
SCHEMBL3945379 0.84 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AEPHX2
SCHEMBL4827005 0.83 PRKCA (0.53) PRKCAMMP12NR1I2SCN9A
SCHEMBL14567741 0.82 NR1I2 (0.41) PRKCAMMP12HRH3NR1I2PIK3CD

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 8 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
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 PRKCA 3560/4885MMP12 4163/4885HRH3 1775/4885

“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.