SCHEMBL428663

SCHEMBL428663

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc(OCc3ccccc3)cc1)n2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
MCL1 Q07820 2/20 0.46
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
PTGES O14684 2/20 0.42
PTPN1 P18031 1/20 0.41
PTPRA P18433 1/20 0.41
PTGER4 P35408 2/20 0.41
MDM2 Q00987 1/20 0.41
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
GSTP1 P09211 2/20 0.41
FFAR1 O14842 1/20 0.40
SRD5A2 P31213 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALOX5 P09917 1/20 0.40
S1PR5 Q9H228 1/20 0.40
STK17B O94768 1/20 0.39

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
SCHEMBL2998612 0.89 AR (0.42) PTGESMDM2
SCHEMBL424110 0.87 NR4A2 (0.47) NR4A2MCL1NR4A1NR4A3PTPN1
SCHEMBL424913 0.86 NR4A2 (0.46) NR4A2MCL1NR4A1NR4A3PTGES
SCHEMBL426003 0.86 EGFR (0.46) NR4A2MCL1NR4A1NR4A3PTGES
SCHEMBL425969 0.86 NR4A2 (0.52) NR4A2MCL1NR4A1NR4A3PTGES
SCHEMBL424138 0.85 NR4A2 (0.51) NR4A2MCL1NR4A1NR4A3PTGES
SCHEMBL423858 0.85 NR4A2 (0.44) NR4A2MCL1NR4A1NR4A3PTPN1
SCHEMBL428489 0.84 NR4A2 (0.44) NR4A2MCL1PTPN1PTPRAPTGER4
SCHEMBL427109 0.84 EGFR (0.50) NR4A2FFAR1
SCHEMBL428662 0.83 NR4A2 (0.44) NR4A2MCL1PTPN1PTPRAHRH3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US claimed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US claimed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP claimed
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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP 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 (2 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI NR4A2 3955/4885MCL1 2560/4885NR4A1 3432/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NR4A2 3955/4885MCL1 2560/4885NR4A1 3432/4885

“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.