SCHEMBL424138

SCHEMBL424138

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc(OCc3ccccc3)cc1)n2-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
MDM2 Q00987 1/20 0.46
MCL1 Q07820 2/20 0.46
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPRA P18433 1/20 0.41
PTGER4 P35408 2/20 0.41
GSTP1 P09211 2/20 0.41
FFAR1 O14842 1/20 0.40
SRD5A2 P31213 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
STK17B O94768 1/20 0.39
POLB P06746 1/20 0.39
SMPD1 P17405 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL425969 0.86 NR4A2 (0.52) NR4A2MDM2MCL1NR4A1NR4A3
SCHEMBL428663 0.85 NR4A2 (0.51) NR4A2MDM2MCL1NR4A1NR4A3
SCHEMBL424110 0.81 NR4A2 (0.47) NR4A2MDM2MCL1NR4A1NR4A3
SCHEMBL426003 0.81 EGFR (0.46) NR4A2MCL1NR4A1NR4A3PTPN1
SCHEMBL424913 0.81 NR4A2 (0.46) NR4A2MDM2MCL1NR4A1NR4A3
SCHEMBL423858 0.79 NR4A2 (0.44) NR4A2MDM2MCL1NR4A1NR4A3
SCHEMBL428489 0.78 NR4A2 (0.44) NR4A2MCL1PTPN1PTPRAPTGER4
SCHEMBL427109 0.78 EGFR (0.50) NR4A2FFAR1KMT2A
SCHEMBL2996607 0.77 ALDH1A1 (0.43) NR4A2POLB
SCHEMBL422522 0.76 LMNA (0.48) NR4A2PTGER4FFAR1SRD5A2MEN1

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 3955/4885MDM2 3640/4885MCL1 2560/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NR4A2 3955/4885MDM2 3640/4885MCL1 2560/4885

“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.