SCHEMBL424913

SCHEMBL424913

CN(C)C(=O)Cn1c(-c2ccc(OCc3ccccc3)cc2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.46
LTB4R Q15722 4/20 0.42
LTB4R2 Q9NPC1 4/20 0.42
MCL1 Q07820 1/20 0.41
ALOX5 P09917 2/20 0.41
EGFR P00533 2/20 0.39
PTGES O14684 1/20 0.39
PRMT5 O14744 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPRA P18433 1/20 0.38
PTGER4 P35408 2/20 0.38
NR4A1 P22736 1/20 0.38
NR4A3 Q92570 1/20 0.38
CYP2D6 P10635 1/20 0.38
MDM2 Q00987 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
SCHEMBL422946 0.89 SMN1; SMN2 (0.41)
SCHEMBL423331 0.89 TSPO (0.43)
SCHEMBL2997718 0.88 GRIN2B (0.40)
SCHEMBL2988870 0.88 KDM4E (0.40)
SCHEMBL426003 0.87 EGFR (0.46) NR4A2LTB4RLTB4R2MCL1ALOX5
SCHEMBL428663 0.86 NR4A2 (0.51) NR4A2MCL1ALOX5PTGESPTPN1
SCHEMBL428409 0.86 PTGER1 (0.41) LTB4RLTB4R2MCL1PTGER4
SCHEMBL428928 0.85 SMN1; SMN2 (0.44) NR4A2LTB4RLTB4R2EGFR
SCHEMBL428489 0.85 NR4A2 (0.44) NR4A2MCL1PTPN1PTPRAPTGER4
SCHEMBL424912 0.85 NR4A2 (0.41) NR4A2LTB4RLTB4R2MCL1ALOX5

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 3955/4885LTB4R 4189/4885LTB4R2 4384/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI NR4A2 3955/4885LTB4R 4189/4885LTB4R2 4384/4885

“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.