SCHEMBL804209

SCHEMBL804209

COCc1cc(C(=O)NCC(C)C)ccc1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPK14 Q16539 1/20 0.46
TP53 P04637 2/20 0.45
MDM2 Q00987 1/20 0.45
ALPL P05186 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GCG P01275 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 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
SCHEMBL804211 0.89 HPGD (0.42) HPGDKDM4EALDH1A1MAPK14TP53
SCHEMBL804401 0.87 LMNA (0.47) HPGDKDM4EKMT2AGAALMNA
SCHEMBL10283467 0.87 NPSR1 (0.46) HPGDRAB9AMAPK14NPSR1HTT
SCHEMBL804473 0.86 HPGD (0.50) HPGDKMT2AGAAHSD17B10TP53
SCHEMBL804293 0.85 HPGD (0.46) HPGDKDM4EKMT2AALDH1A1TP53
SCHEMBL803870 0.85 CNR1 (0.47) HPGDKDM4EGAAMAPK14GCG
SCHEMBL804460 0.84 SLC6A4 (0.48) HPGDKMT2ANPC1ALDH1A1KCNH2
SCHEMBL803909 0.84 GABRA5 (0.49) HPGDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL803876 0.83 CSNK2A2 (0.45) HPGDKDM4EKMT2AGAALMNA
SCHEMBL10286656 0.83 CNR1 (0.50) HPGDALDH1A1TP53MDM2CNR1

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 HPGD 2752/4885KDM4E 2725/4885KMT2A 1865/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI HPGD 2210/4885KDM4E 1520/4885KMT2A 2259/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI HPGD 2210/4885KDM4E 1520/4885KMT2A 2259/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HPGD 2752/4885KDM4E 2725/4885KMT2A 1865/4885

“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.