SCHEMBL422631

SCHEMBL422631

[O]CC(=O)c1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
L3MBTL1 Q9Y468 4/20 0.59
LMNA P02545 2/20 0.59
NAPRT Q6XQN6 1/20 0.59
P4HTM Q9NXG6 1/20 0.59
ALDH1A1 P00352 2/20 0.57
CTNNB1 P35222 6/20 0.54
WNT3A P56704 3/20 0.54
GRM4 Q14833 1/20 0.54
KMT2A Q03164 2/20 0.53
GSK3B P49841 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL12777709 0.85 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL253276 0.84 CES2 (0.64) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL2470002 0.84 CTNNB1 (0.71) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL29355245 0.84 CES2 (0.64) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL422632 0.83 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL2639445 0.83 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL156496 0.81 ALDH1A1 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL208041 0.81 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL2544523 0.81 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL5200046 0.81 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT

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 11 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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 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
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 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 (5 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 CES2 652/4885CES1 513/4885L3MBTL1 4435/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI CES2 904/4885CES1 430/4885L3MBTL1 4165/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CES2 904/4885CES1 430/4885L3MBTL1 4165/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 CES2 1266/4885CES1 542/4885L3MBTL1 3931/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CES2 652/4885CES1 513/4885L3MBTL1 4435/4885

“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.