SCHEMBL3590838

SCHEMBL3590838

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3CO)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
KIF11 P52732 1/20 0.50
GSK3B P49841 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
MDH2 P40926 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
NPC1 O15118 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2A1 P68400 1/20 0.39
NPY5R Q15761 1/20 0.38

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
SCHEMBL4562814 0.94 PARP1 (0.45) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL14253832 0.94 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL771211 0.93 NPC1 (0.48) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL771987 0.92 PARP1 (0.48) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL14572904 0.91 PARP1 (0.47) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL393420 0.88 PARP1 (0.52) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL393756 0.87 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL13936706 0.87 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3580781 0.86 PARP1 (0.43) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3939786 0.86 PARP1 (0.50) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-01-14 US disclosed
CN-101437826-A Pentacyclic indole derivatives as antiviral agents ANGELETTI P IST RICHERCHE BIO (IT) 2009-05-20 CN disclosed
EP-2027125-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-02-25 EP disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 WO disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 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-20100009959-A1 Pentacyclic Indole Derivatives as Antiviral Agents IDO1, IDO2, ZC3HAV1 PARP1 731/4885KIF11 2331/4885GSK3B 119/4885

“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.