SCHEMBL792041

SCHEMBL792041

COCc1cc(Cl)ccc1-c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MAOB P27338 1/20 0.46
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
NLRP3 Q96P20 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
DPP4 P27487 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL791494 0.90 MEN1 (0.50) FFAR1FFAR4CA1CA2MAOB
SCHEMBL792102 0.90 FFAR1 (0.44) FFAR1FFAR4MEN1KMT2ANPSR1
SCHEMBL1520777 0.88 IDO1 (0.47) FFAR1FFAR4CA1CA2MAOB
SCHEMBL14686282 0.85 CA1 (0.47) FFAR1FFAR4CA1CA2MAOB
SCHEMBL792013 0.85 FFAR1 (0.53) FFAR1FFAR4MEN1KMT2AMAPT
SCHEMBL791736 0.85 FFAR1 (0.47) FFAR1FFAR4MEN1KMT2ANPSR1
SCHEMBL792016 0.84 FFAR1 (0.41) FFAR1FFAR4DPP4GCGRMAPK14
SCHEMBL791730 0.83 FFAR1 (0.51) FFAR1FFAR4AURKAAURKBMEN1
SCHEMBL791485 0.83 FFAR1 (0.48) FFAR1FFAR4MEN1KMT2ANPSR1
SCHEMBL791481 0.81 FFAR1 (0.38) FFAR1FFAR4MEN1KMT2AMAPT

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 FFAR1 4509/4885FFAR4 4537/4885CA1 3203/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI FFAR1 4693/4885FFAR4 4607/4885CA1 4483/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI FFAR1 4693/4885FFAR4 4607/4885CA1 4483/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 FFAR1 4509/4885FFAR4 4537/4885CA1 3203/4885

“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.