Sugi Predict

Sugi Predict / Compounds / SCHEMBL4020494

SCHEMBL4020494

SCHEMBL4020494

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@H](NC(=O)N1CCOCC1)Cc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 1/20 0.48
▸ MMP12 P39900 1/20 0.48
▸ NR1I2 O75469 1/20 0.47
▸ SCN9A Q15858 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R2 O00459 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PIK3R5 Q8WYR1 1/20 0.35
▸ PIK3R3 Q92569 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ F2R P25116 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 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 1.00 PRKCA (0.48) PRKCAMMP12NR1I2SCN9AHRH3
SCHEMBL13940189 1.00 PRKCA (0.48) PRKCAMMP12NR1I2SCN9AHRH3
SCHEMBL3937533 0.94 PRKCA (0.47) PRKCAMMP12NR1I2SCN9AHRH3
SCHEMBL13940153 0.92 NR1I2 (0.47) PRKCAMMP12NR1I2SCN9AHRH3
SCHEMBL14567741 0.88 NR1I2 (0.41) PRKCAMMP12NR1I2SCN9AHRH3
SCHEMBL13940166 0.88 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AHRH3
SCHEMBL3945379 0.88 PRKCA (0.49) PRKCAMMP12NR1I2SCN9AEPHX2
SCHEMBL3938024 0.87 NR1I2 (0.65) PRKCAMMP12NR1I2SCN9ASCN5A
SCHEMBL13940163 0.87 NR1I2 (0.65) PRKCAMMP12NR1I2SCN9ASCN5A
SCHEMBL3940992 0.87 NR1I2 (0.65) PRKCAMMP12NR1I2SCN9ASCN5A

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 PRKCA 3560/4885MMP12 4163/4885NR1I2 168/4885

“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.