SCHEMBL773870

SCHEMBL773870

COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc[nH]3)n(CCCCl)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.39
SCARB1 Q8WTV0 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 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
SCHEMBL772476 0.78 SCN9A (0.36) SCN9ASCARB1HDAC1HDAC8HDAC6
SCHEMBL14606915 0.77 SCN9A (0.36) SCN9ASCARB1HDAC1HDAC8HDAC6
SCHEMBL13769739 0.76 BRD4 (0.36) SCN9ASCARB1CNR2ALDH1A1HPGD
SCHEMBL3724713 0.74 PKM (0.37) SCN9AHDAC1HDAC8HDAC6CNR2
SCHEMBL394814 0.72 SCN9A (0.43) SCN9AHDAC1HDAC8HDAC6CNR2
SCHEMBL4826344 0.72 SCN9A (0.41) SCN9AHDAC1HDAC8HDAC6CNR2
SCHEMBL769188 0.71 ALDH1A1 (0.40) SCN9AHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3571468 0.71 FABP4 (0.41) SCN9AHDAC1HDAC8HDAC6CNR2
SCHEMBL3721352 0.71 PDE4D (0.35) SCN9ASCARB1HDAC1HDAC8HDAC6
SCHEMBL772730 0.71 PKM (0.43) SCN9AHDAC1HDAC8HDAC6CNR2

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 3087/4885SCARB1 4057/4885HDAC1 182/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SCN9A 3087/4885SCARB1 4057/4885HDAC1 182/4885

“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.