SCHEMBL791746

SCHEMBL791746

CCCN(C(C)=O)c1ccc(-c2ccc(Cl)cc2)c(COC)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
CYP3A4 P08684 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TSPO P30536 1/20 0.33
CNR1 P21554 1/20 0.33
PRKCZ Q05513 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL792076 0.91 CYP3A4 (0.41) LTB4R2GPBAR1FFAR1FFAR4CYP3A4
SCHEMBL13285895 0.88 SMN1; SMN2 (0.31) LTB4R2
SCHEMBL791753 0.83 POLB (0.43) GPBAR1FFAR1FFAR4NPSR1PRKCZ
SCHEMBL792362 0.82 CYP3A4 (0.40) LTB4R2GPBAR1FFAR1FFAR4CYP3A4
SCHEMBL792364 0.80 FFAR1 (0.36) GPBAR1MAPKAPK2FFAR1FFAR4NPSR1
SCHEMBL792079 0.79 LMNA (0.37) POLB
SCHEMBL13285894 0.79 SMN1; SMN2 (0.39) LTB4R2POLB
SCHEMBL792357 0.79 PRKCZ (0.39) GPBAR1FFAR1FFAR4PRKCZSLC6A4
SCHEMBL792290 0.77 SLC2A2 (0.35) FFAR1FFAR4
SCHEMBL792081 0.77 ALDH1A1 (0.36) FFAR1FFAR4NPSR1POLBMAPT

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 12 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-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-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
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US 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-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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (4 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 LTB4R2 4551/4885GPBAR1 1743/4885MAPKAPK2 2151/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI LTB4R2 4384/4885GPBAR1 2227/4885MAPKAPK2 2620/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI LTB4R2 4384/4885GPBAR1 2227/4885MAPKAPK2 2620/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 LTB4R2 4551/4885GPBAR1 1743/4885MAPKAPK2 2151/4885

“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.