SCHEMBL791696

SCHEMBL791696

COCc1cc(C(=O)NC(C)C)ccc1-c1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.46
ANPEP P15144 1/20 0.42
ERN1 O75460 1/20 0.42
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
S1PR3 Q99500 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL10283549 0.90 KCNA3 (0.43) GABRA5ANPEPROCK2ROCK1HPGD
SCHEMBL10283548 0.90 KCNA3 (0.47) ANPEPERN1ROCK2ROCK1ALDH1A1
SCHEMBL10283467 0.85 NPSR1 (0.46) GABRA5ROCK2ROCK1HPGDNPSR1
SCHEMBL791704 0.83 PRKCZ (0.52) ROCK2ROCK1HPGDAKR1C3AKR1C2
SCHEMBL10287108 0.83 HPGD (0.44) GABRA5ROCK2ROCK1ALDH1A1KDM4E
SCHEMBL10283550 0.82 GABRA5 (0.49) GABRA5ROCK2ROCK1ALDH1A1KDM4E
SCHEMBL792318 0.82 GABRA5 (0.48) GABRA5ROCK2ROCK1ALDH1A1KDM4E
SCHEMBL792003 0.81 TAS1R3 (0.45) ROCK2ROCK1ALDH1A1KDM4EGLA
SCHEMBL803909 0.78 GABRA5 (0.49) GABRA5ROCK2ROCK1ALDH1A1KDM4E
SCHEMBL13146304 0.77 MLYCD (0.54) ANPEPERN1ALDH1A1S1PR3MEN1

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 GABRA5 2542/4885ANPEP 108/4885ERN1 1032/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI GABRA5 1856/4885ANPEP 215/4885ERN1 887/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI GABRA5 1856/4885ANPEP 215/4885ERN1 887/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GABRA5 2542/4885ANPEP 108/4885ERN1 1032/4885

“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.