SCHEMBL2276602

SCHEMBL2276602

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc(OCc4ccccn4)cc3O)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
KIF11 P52732 1/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE5A O76074 2/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PARP10 Q53GL7 1/20 0.38
MCHR1 Q99705 1/20 0.38
SMO Q99835 1/20 0.38
GSK3B P49841 1/20 0.38
KCNH2 Q12809 1/20 0.38
APP P05067 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
SCHEMBL2274017 0.91 SYK (0.38) PARP1KIF11MAOAKDM4EALDH1A1
SCHEMBL2281834 0.88 HPGD (0.38) PARP1KIF11MAOAKDM4EALDH1A1
SCHEMBL2279943 0.84 PARP1 (0.45) PARP1KIF11KDM4EALDH1A1GAA
SCHEMBL393420 0.82 PARP1 (0.52) PARP1KIF11KDM4EALDH1A1GAA
SCHEMBL772338 0.81 LNPEP (0.42) PARP1KIF11KDM4EALDH1A1GAA
SCHEMBL5437228 0.81 PARP1 (0.50) PARP1KIF11KDM4EALDH1A1GAA
SCHEMBL4973847 0.80 PARP1 (0.51) PARP1KIF11KDM4EALDH1A1GAA
SCHEMBL4823115 0.79 PARP1 (0.40) PARP1KIF11KDM4EALDH1A1GAA
SCHEMBL14263637 0.79 PARP1 (0.41) PARP1KIF11KDM4EALDH1A1GAA
SCHEMBL2274121 0.79 PARP1 (0.50) PARP1KIF11KDM4EALDH1A1GAA

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
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
EP-2178886-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
EP-2178885-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-04-28 EP disclosed
US-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
WO-2009010783-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 WO disclosed
WO-2009010785-A1 MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-01-22 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PARP1 1571/4885KIF11 3194/4885MAOA 1049/4885

“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.