SCHEMBL424912

SCHEMBL424912

CN(C)C(=O)Cn1c(-c2ccc(OCc3ccccc3)cc2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.41
LTB4R Q15722 3/20 0.40
LTB4R2 Q9NPC1 3/20 0.40
CYP2D6 P10635 2/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
MCL1 Q07820 1/20 0.37
ALOX5 P09917 1/20 0.36
FDFT1 P37268 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRA P18433 1/20 0.36
CCR5 P51681 1/20 0.36
CYP3A4 P08684 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PRMT5 O14744 2/20 0.35

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
SCHEMBL422945 0.90 CYP2D6 (0.38) CYP2D6HRH1KCNH2KMT2ASMN1; SMN2
SCHEMBL428927 0.89 SMN1; SMN2 (0.41) NR4A2LTB4RLTB4R2FDFT1KMT2A
SCHEMBL2997714 0.89 MAPT (0.38) CYP2D6HRH1KCNH2GRIN1GRIN2B
SCHEMBL426002 0.89 NR4A2 (0.41) NR4A2LTB4RLTB4R2CYP2D6MCL1
SCHEMBL428662 0.88 NR4A2 (0.44) NR4A2MCL1FDFT1KDM4EKMT2A
SCHEMBL423330 0.88 GRIN1 (0.39) KDM4EKMT2AGRIN1GRIN2B
SCHEMBL2988868 0.88 ESR1 (0.39) CYP2D6HRH1KCNH2KDM4EGRIN1
SCHEMBL428408 0.87 MCL1 (0.38) LTB4RLTB4R2CYP2D6HRH1KCNH2
SCHEMBL423857 0.87 NR4A2 (0.43) NR4A2CYP2D6MCL1FDFT1KDM4E
SCHEMBL428488 0.87 CSNK1E (0.40) NR4A2CYP2D6MCL1FDFT1KDM4E

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 10 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-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-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
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
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.