SCHEMBL2277324

SCHEMBL2277324

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccc(CN4CCCCC4)c3O)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 8/20 0.43
KDR P35968 6/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FGFR1 P11362 2/20 0.41
PARP1 P09874 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR3 P22607 1/20 0.41
KIF11 P52732 1/20 0.41
HTR3A P46098 2/20 0.38
MLLT1 Q03111 1/20 0.38
MAPK1 P28482 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
SCHEMBL2277016 0.87 PARP1 (0.43) PDGFRBKDRALDH1A1HPGDFGFR1
SCHEMBL2279243 0.85 PARP1 (0.41) ALDH1A1HPGDHSD17B10PARP1KIF11
SCHEMBL3590838 0.85 PARP1 (0.50) ALDH1A1HPGDPARP1KIF11MAPK1
SCHEMBL3793445 0.84 PARP1 (0.47) PDGFRBKDRALDH1A1HPGDKDM4E
SCHEMBL2274667 0.83 PARP1 (0.46) ALDH1A1HPGDPARP1KIF11MAPK1
SCHEMBL14253832 0.83 PARP1 (0.50) ALDH1A1HPGDKDM4EHSD17B10PARP1
SCHEMBL2276592 0.81 PARP1 (0.44) ALDH1A1HPGDKDM4EHSD17B10PARP1
SCHEMBL3684108 0.81 PARP1 (0.38) ALDH1A1HPGDKDM4EHSD17B10PARP1
SCHEMBL771987 0.81 PARP1 (0.48) ALDH1A1HPGDKDM4EHSD17B10PARP1
SCHEMBL393420 0.81 PARP1 (0.52) ALDH1A1HPGDKDM4EHSD17B10PARP1

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
CN-101754970-B Macrocyclic indole derivatives for the treatment of hepatitis c infections ANGELETTI P IST RICHERCHE BIO 2013-07-10 CN disclosed
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed
CN-101754970-A The Macrocyclic indole derivatives that is used for the treatment of hepatitis C ANGELETTI P IST RICHERCHE BIO 2010-06-23 CN 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 PDGFRB 2930/4885KDR 4770/4885ALDH1A1 1358/4885

“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.