SCHEMBL3720053

SCHEMBL3720053

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccc4cc[nH]c34)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
KIF11 P52732 1/20 0.44
GSK3B P49841 2/20 0.38
NR3C1 P04150 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
MDH2 P40926 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
DYRK1A Q13627 1/20 0.37
RAB9A P51151 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ASH1L Q9NR48 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
NPY5R Q15761 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL393420 0.82 PARP1 (0.52) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3793445 0.82 PARP1 (0.47) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL393756 0.82 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL13936706 0.82 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL2274667 0.81 PARP1 (0.46) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3590838 0.81 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3939786 0.81 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL14253832 0.81 PARP1 (0.50) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3247853 0.80 PARP1 (0.49) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL2276592 0.80 PARP1 (0.44) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231668-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
US-20090197856-A1 ANTIVIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2009-08-06 US disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 WO disclosed
WO-2009086139-A1 CONDENSED PENTACYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF FLAVIVIRIDAE INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-07-09 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-20090197856-A1 ANTIVIRAL COMPOUNDS ZC3HAV1, EIF2AK2, MAVS PARP1 4122/4885KIF11 1657/4885GSK3B 3452/4885

“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.