SCHEMBL771436

SCHEMBL771436

COC(=O)c1ccc2c(C3CCCCC3)c(-c3cc(F)ccc3NC(=O)CCl)[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.39
KIF11 P52732 1/20 0.39
HTR2A P28223 2/20 0.38
KCNH2 Q12809 2/20 0.38
ALDH1A1 P00352 4/20 0.37
GSK3B P49841 1/20 0.36
MAPK1 P28482 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2C P28335 1/20 0.36
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
MAP2K4 P45985 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL772032 0.89 PARP1 (0.45) PARP1SMN1; SMN2HPGDKIF11ALDH1A1
SCHEMBL804017 0.86 HTR2A (0.34) HTR2AKCNH2ALDH1A1DRD2HTR2C
SCHEMBL772141 0.85 HPGD (0.40) PARP1SMN1; SMN2HPGDKIF11ALDH1A1
SCHEMBL772040 0.85 SMN1; SMN2 (0.40) PARP1SMN1; SMN2HPGDKIF11ALDH1A1
SCHEMBL771442 0.83 PARP1 (0.48) PARP1SMN1; SMN2HPGDKIF11HTR2A
SCHEMBL2274121 0.83 PARP1 (0.50) PARP1SMN1; SMN2HPGDKIF11HTR2A
SCHEMBL3594339 0.81 HPGD (0.39) PARP1SMN1; SMN2HPGDKIF11ALDH1A1
SCHEMBL771413 0.80 PARP1 (0.38) PARP1HPGDKIF11ALDH1A1MEN1
SCHEMBL13286269 0.78 HTR2A (0.35) PARP1SMN1; SMN2HTR2AKCNH2ALDH1A1
SCHEMBL3093015 0.77 PARP1 (0.43) PARP1SMN1; SMN2HPGDKIF11HTR2A

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 1815/4885SMN1; SMN2 4306/4885HPGD 2752/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PARP1 1815/4885SMN1; SMN2 4306/4885HPGD 2752/4885

“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.