SCHEMBL393420

SCHEMBL393420

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.52
KIF11 P52732 1/20 0.52
GSK3B P49841 2/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
MDH2 P40926 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 1/20 0.41
FTO Q9C0B1 1/20 0.41
CSNK2A1 P68400 1/20 0.40
MAPK1 P28482 1/20 0.39
FLT3 P36888 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL393756 0.89 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL13936706 0.89 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL14253832 0.88 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3590838 0.88 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3939786 0.88 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL2279943 0.88 PARP1 (0.45) PARP1KIF11GSK3BALDH1A1SMN1; SMN2
SCHEMBL2274121 0.88 PARP1 (0.50) PARP1KIF11GSK3BALDH1A1SMN1; SMN2
SCHEMBL3793445 0.87 PARP1 (0.47) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3247853 0.87 PARP1 (0.49) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3088394 0.86 PARP1 (0.48) PARP1KIF11GSK3BCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103224506-A Antiviral indoles ANGELETTI P IST RICHERCHE BIO 2013-07-31 CN disclosed
CN-101754970-B Macrocyclic indole derivatives for the treatment of hepatitis c infections ANGELETTI P IST RICHERCHE BIO 2013-07-10 CN disclosed
EP-2121707-B1 ANTIVIRAL INDOLES ANGELETTI P IST RICHERCHE BIO (IT) 2012-12-05 EP disclosed
US-8232390-B2 Pentacyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-07-31 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
CN-101801982-A Macrocyclic indole derivatives for the treatment of hepatitis C infections ANGELETTI P IST RICHERCHE BIO 2010-08-11 CN disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 US disclosed
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 WO 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PARP1 1815/4885KIF11 2609/4885GSK3B 3329/4885
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PARP1 807/4885KIF11 2277/4885GSK3B 146/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PARP1 1815/4885KIF11 2609/4885GSK3B 3329/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PARP1 1367/4885KIF11 3692/4885GSK3B 751/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PARP1 1367/4885KIF11 3692/4885GSK3B 751/4885

“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.