SCHEMBL428488

SCHEMBL428488

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.40
NR4A2 P43354 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPRA P18433 1/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 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
SCHEMBL422435 0.89 ALDH1A1 (0.37) MAPTGAAKDM4EKMT2AMEN1
SCHEMBL424912 0.87 NR4A2 (0.41) NR4A2SMN1; SMN2KDM4EKMT2APTPN1
SCHEMBL428662 0.86 NR4A2 (0.44) NR4A2SMN1; SMN2NPC1KDM4EKMT2A
SCHEMBL428489 0.85 NR4A2 (0.44) CSNK1ENR4A2SMN1; SMN2MAPTNPC1
SCHEMBL423857 0.85 NR4A2 (0.43) NR4A2SMN1; SMN2KDM4EKMT2APTPN1
SCHEMBL424109 0.84 NR4A2 (0.41) NR4A2SMN1; SMN2NPC1LMNAKDM4E
SCHEMBL425968 0.84 NR4A2 (0.45) NR4A2SMN1; SMN2NPC1LMNAKDM4E
SCHEMBL426002 0.83 NR4A2 (0.41) NR4A2SMN1; SMN2KDM4EKMT2APTPN1
SCHEMBL2996596 0.82 MAPT (0.40) NR4A2SMN1; SMN2MAPTNPC1LMNA
SCHEMBL10287458 0.82 MAPT (0.49) SMN1; SMN2MAPTNPC1LMNAGAA

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 CSNK1E 1577/4885NR4A2 3955/4885SMN1; SMN2 4383/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CSNK1E 1577/4885NR4A2 3955/4885SMN1; SMN2 4383/4885

“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.