SCHEMBL771649

SCHEMBL771649

O=[C]CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 0.76
TDP1 Q9NUW8 6/20 0.63
MEN1 O00255 1/20 0.63
ABL1 P00519 1/20 0.63
LMNA P02545 1/20 0.63
PKM P14618 1/20 0.63
IDE P14735 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 1/20 0.63
RIN1 Q13671 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
CA12 O43570 7/20 0.46
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 7/20 0.46

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
SCHEMBL5599921 1.00 HLCS (0.76) HLCSTDP1MEN1ABL1LMNA
SCHEMBL93446 1.00 HLCS (0.76) HLCSTDP1MEN1ABL1LMNA
SCHEMBL5491731 0.90 TDP1 (0.67) HLCSTDP1MEN1ABL1LMNA
SCHEMBL14822342 0.87 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL16141183 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL14822482 0.85 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL16141171 0.85 HLCS (0.75) HLCSTDP1MEN1ABL1LMNA
SCHEMBL16664701 0.84 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL19278027 0.84 HLCS (0.72) HLCSTDP1MEN1ABL1LMNA
SCHEMBL15142513 0.84 TDP1 (0.68) HLCSTDP1MEN1ABL1LMNA

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 9 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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
EP-1313713-B1 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS ORTHO MCNEIL PHARM INC (US) 2008-06-11 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
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US 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 (3 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 HLCS 2068/4885TDP1 3276/4885MEN1 4753/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 HLCS 2842/4885TDP1 1858/4885MEN1 4852/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HLCS 2068/4885TDP1 3276/4885MEN1 4753/4885

“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.