SCHEMBL772242

SCHEMBL772242

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccccc3SCCOC3CCCCO3)[nH]c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPK1 P28482 1/20 0.39
KIF11 P52732 1/20 0.39
HSD17B10 Q99714 4/20 0.36
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 4/20 0.36
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
MDH2 P40926 1/20 0.35
GSK3B P49841 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL772108 0.88 PARP1 (0.43) PARP1ALDH1A1MAPK1KIF11HSD17B10
SCHEMBL773222 0.85 PARP1 (0.45) PARP1ALDH1A1MAPK1KIF11SMN1; SMN2
SCHEMBL773598 0.84 PARP1 (0.41) PARP1ALDH1A1MAPK1KIF11HSD17B10
SCHEMBL10283238 0.84 KDM4C (0.33) RAB9A
SCHEMBL13286273 0.80 KDM4C (0.38) PARP1ALDH1A1MAPK1HSD17B10GAA
SCHEMBL772106 0.80 HPGD (0.38) PARP1ALDH1A1MAPK1KIF11HSD17B10
SCHEMBL393420 0.78 PARP1 (0.52) PARP1ALDH1A1MAPK1KIF11HSD17B10
SCHEMBL14253832 0.77 PARP1 (0.50) PARP1ALDH1A1MAPK1KIF11HSD17B10
SCHEMBL3590838 0.77 PARP1 (0.50) PARP1ALDH1A1MAPK1KIF11SMN1; SMN2
SCHEMBL771211 0.76 NPC1 (0.48) PARP1ALDH1A1MAPK1KIF11SMN1; SMN2

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
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 (2 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 PARP1 1815/4885ALDH1A1 750/4885MAPK1 1154/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PARP1 1815/4885ALDH1A1 750/4885MAPK1 1154/4885

“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.