SCHEMBL772476

SCHEMBL772476

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cccn3C(=O)OC(C)(C)C)n(CCCCl)c2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.36
CYP3A4 P08684 4/20 0.34
CYP2C19 P33261 4/20 0.34
CYP2C9 P11712 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SCARB1 Q8WTV0 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
CYP2D6 P10635 1/20 0.34
CNR2 P34972 2/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL792783 0.89 HSP90AA1 (0.35) LMNANPSR1HSP90AA1HSP90AB1CNR2
SCHEMBL804684 0.86 HSP90AA1 (0.33) HDAC1HDAC6HDAC8HSP90AA1HSP90AB1
SCHEMBL13286184 0.79 CNR2 (0.33) HDAC1HDAC6ALDH1A1LMNAHPGD
SCHEMBL773870 0.78 SCN9A (0.39) SCN9ACYP3A4CYP2C19CYP2C9HDAC1
SCHEMBL773521 0.76 PARP1 (0.43) KDM4EALDH1A1HPGDNPSR1HSP90AA1
SCHEMBL394368 0.73 CNR2 (0.39) SCN9ACYP3A4CYP2C19CYP2C9HDAC1
SCHEMBL14448737 0.72 ALDH1A1 (0.39) SCN9ACYP3A4CYP2C19CYP2C9KDM4E
SCHEMBL14606915 0.71 SCN9A (0.36) SCN9ACYP3A4CYP2C19CYP2C9HDAC1
SCHEMBL1173424 0.71 SCN9A (0.51) SCN9ACYP3A4CYP2C19CYP2C9HDAC1
SCHEMBL5443997 0.71 ALDH1A1 (0.39) SCN9ACYP3A4CYP2C19CYP2C9HDAC1

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 SCN9A 3087/4885CYP3A4 1341/4885CYP2C19 1316/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SCN9A 3087/4885CYP3A4 1341/4885CYP2C19 1316/4885

“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.