SCHEMBL3594339

SCHEMBL3594339

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccc(NC(C)=O)c3NC(=O)CCl)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
PARP1 P09874 1/20 0.39
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 8/20 0.36
GAA P10253 3/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PARP14 Q460N5 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL772032 0.88 PARP1 (0.45) HPGDPARP1KIF11KDM4EMAPK1
SCHEMBL3600913 0.85 PARP1 (0.43) HPGDPARP1KIF11KDM4EMAPK1
SCHEMBL772141 0.82 HPGD (0.40) HPGDPARP1KIF11KDM4EMAPK1
SCHEMBL772040 0.82 SMN1; SMN2 (0.40) HPGDPARP1KIF11KDM4EMAPK1
SCHEMBL771436 0.81 PARP1 (0.43) HPGDPARP1KIF11MAPK1HSD17B10
SCHEMBL771413 0.78 PARP1 (0.38) HPGDPARP1KIF11KDM4EALDH1A1
SCHEMBL771987 0.78 PARP1 (0.48) HPGDPARP1KIF11KDM4EMAPK1
SCHEMBL14253832 0.77 PARP1 (0.50) HPGDPARP1KIF11KDM4EMAPK1
SCHEMBL3590838 0.77 PARP1 (0.50) HPGDPARP1KIF11MAPK1ALDH1A1
SCHEMBL3939786 0.77 PARP1 (0.50) HPGDPARP1KIF11KDM4EMAPK1

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 4 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
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
WO-2007129119-A1 PENTACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-11-15 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 HPGD 436/4885PARP1 731/4885KIF11 2331/4885

“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.