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.

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