SCHEMBL394957

SCHEMBL394957

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)O)Cc1ccccc1-3

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.54
MMP12 P39900 1/20 0.54
SCN9A Q15858 3/20 0.39
NR1I2 O75469 5/20 0.38
KMO O15229 1/20 0.37
SRD5A2 P31213 2/20 0.35
SRD5A1 P18405 1/20 0.35
FABP4 P15090 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MCL1 Q07820 1/20 0.33
CYP2D6 P10635 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL13936814 0.92 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL13965807 0.91 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL4829932 0.90 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL13936821 0.90 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL4829981 0.90 PRKCA (0.47) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL14253800 0.90 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL13936815 0.90 PRKCA (0.53) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL13936816 0.90 PRKCA (0.57) PRKCAMMP12SCN9ANR1I2KMO
SCHEMBL14253803 0.90 PRKCA (0.51) PRKCAMMP12SCN9ANR1I2POLB
SCHEMBL4830061 0.89 PRKCA (0.55) PRKCAMMP12SCN9ANR1I2KMO

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-20100076046-A1 Antiviral Indoles ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-03-25 US disclosed
EP-2121707-A1 ANTIVIRAL INDOLES Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-11-25 EP disclosed
US-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 US disclosed
US-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 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-7456165-B2 HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456165-B2 HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 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-2007033032-A1 CYCLOPROPYL FUSED 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
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 US disclosed
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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 (5 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-20100076046-A1 Antiviral Indoles IDO1, ZC3HAV1, IFNAR1 PRKCA 4625/4885MMP12 2333/4885SCN9A 4657/4885
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B PRKCA 3560/4885MMP12 4163/4885SCN9A 362/4885
US-20070060565-A1 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors ZC3HAV1, CYP3A5, SLC10A1 PRKCA 3639/4885MMP12 4396/4885SCN9A 289/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885SCN9A 4635/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885SCN9A 4635/4885

“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.