SCHEMBL803909

SCHEMBL803909

COCc1cc(C(=O)NC(C)CO)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.49
HPGD P15428 1/20 0.47
RAB9A P51151 2/20 0.45
PPARG P37231 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
CNR2 P34972 2/20 0.42
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
PTAFR P25105 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
SCHEMBL10283467 0.92 NPSR1 (0.46) GABRA5HPGDRAB9APPARGNCOA3
SCHEMBL13285967 0.88 ROCK2 (0.40) GABRA5HPGDRAB9ATAS1R3TAS1R1
SCHEMBL804460 0.84 SLC6A4 (0.48) HPGDALDH1A1NPC1
SCHEMBL804209 0.84 HPGD (0.52) GABRA5HPGDRAB9AALDH1A1KDM4E
SCHEMBL803876 0.83 CSNK2A2 (0.45) HPGDRAB9AALDH1A1ROCK2ROCK1
SCHEMBL804401 0.82 LMNA (0.47) HPGDCNR2ALDH1A1ROCK2ROCK1
SCHEMBL792263 0.82 NPSR1 (0.46) GABRA5HPGDRAB9APPARGNCOA3
SCHEMBL10287108 0.82 HPGD (0.44) GABRA5HPGDRAB9APPARGNCOA3
SCHEMBL13285861 0.82 HPGD (0.46) HPGDRAB9APPARGNCOA3TAS1R3
SCHEMBL804211 0.82 HPGD (0.42) GABRA5HPGDALDH1A1ROCK2ROCK1

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-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-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 2542/4885HPGD 2752/4885RAB9A 2410/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI GABRA5 1856/4885HPGD 2210/4885RAB9A 1530/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI GABRA5 1856/4885HPGD 2210/4885RAB9A 1530/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GABRA5 2542/4885HPGD 2752/4885RAB9A 2410/4885

“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.