SCHEMBL426003

SCHEMBL426003

CN(C)CCn1c(-c2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.46
NR4A2 P43354 2/20 0.46
MCL1 Q07820 1/20 0.41
BCL2 P10415 2/20 0.41
LTA4H P09960 1/20 0.40
SRD5A2 P31213 1/20 0.39
MCHR1 Q99705 1/20 0.39
LTB4R Q15722 3/20 0.39
LTB4R2 Q9NPC1 3/20 0.39
ALOX5 P09917 2/20 0.39
PTGES O14684 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38

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
SCHEMBL424110 0.88 NR4A2 (0.47) NR4A2MCL1SRD5A2PTPN1PTPRA
SCHEMBL424913 0.87 NR4A2 (0.46) EGFRNR4A2MCL1LTB4RLTB4R2
Hydrochloric Acid SCHEMBL426991 0.87 EGFR (0.44) EGFRNR4A2LTA4H
SCHEMBL428663 0.86 NR4A2 (0.51) NR4A2MCL1SRD5A2ALOX5PTGES
Hydrochloric Acid SCHEMBL428400 0.85 EGFR (0.46) EGFRNR4A2MCHR1
SCHEMBL425969 0.85 NR4A2 (0.52) NR4A2MCL1SRD5A2ALOX5PTGES
SCHEMBL426002 0.85 NR4A2 (0.41) EGFRNR4A2MCL1BCL2LTA4H
SCHEMBL427109 0.83 EGFR (0.50) EGFRNR4A2MCHR1
SCHEMBL428489 0.81 NR4A2 (0.44) NR4A2MCL1PTPN1PTPRA
SCHEMBL2988870 0.81 KDM4E (0.40) LTA4H

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 EGFR 3976/4885NR4A2 3955/4885MCL1 2560/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI EGFR 3976/4885NR4A2 3955/4885MCL1 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.