SCHEMBL5437228

SCHEMBL5437228

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccn3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.50
KIF11 P52732 1/20 0.50
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.44
CSNK2A1 P68400 1/20 0.43
TGFBR1 P36897 1/20 0.43
KDM4E B2RXH2 3/20 0.41
AXL P30530 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 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
SCHEMBL4973847 0.99 PARP1 (0.51) PARP1KIF11GSK3BDYRK1ACSNK2A1
SCHEMBL1174356 0.88 PARP1 (0.46) PARP1GSK3BDYRK1ACSNK2A1TGFBR1
SCHEMBL1173665 0.84 KIF11 (0.55) PARP1KIF11GSK3BCSNK2A1ALDH1A1
SCHEMBL5441467 0.84 KIF11 (0.46) PARP1KIF11GSK3BDYRK1ACSNK2A1
SCHEMBL4827941 0.83 PARP1 (0.45) PARP1KIF11GSK3BDYRK1ACSNK2A1
SCHEMBL14085365 0.83 CYP3A4 (0.47) PARP1KIF11KDM4ESMN1; SMN2
SCHEMBL393420 0.82 PARP1 (0.52) PARP1KIF11GSK3BDYRK1ACSNK2A1
SCHEMBL5198654 0.82 PARP1 (0.52) PARP1KIF11GSK3BCSNK2A1ALDH1A1
SCHEMBL4825608 0.81 PARP1 (0.43) PARP1KIF11GSK3BDYRK1ACSNK2A1
SCHEMBL14253609 0.81 PARP1 (0.44) PARP1KIF11GSK3BDYRK1ACSNK2A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070072911-A1 Indoles and azaindoles as antiviral agents AVOLIO SALVATORE 2007-03-29 US disclosed
EP-1673081-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-06-28 EP disclosed
WO-2005034941-A1 INDOLES AND AZAINDOLES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-04-21 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-20070072911-A1 Indoles and azaindoles as antiviral agents IDO1, IDO2, NAT1 PARP1 229/4885KIF11 3193/4885GSK3B 864/4885

“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.