SCHEMBL422522

SCHEMBL422522

CCOC(=O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc(OCc3ccccc3)cc1)n2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPARG P37231 1/20 0.47
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DGAT1 O75907 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NR4A2 P43354 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SRD5A2 P31213 1/20 0.41
MAOB P27338 1/20 0.41
GABRA1 P14867 1/20 0.39

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
SCHEMBL425969 0.89 NR4A2 (0.52) PPARGNR4A2MEN1KMT2ASRD5A2
SCHEMBL425923 0.88 KDM4E (0.55) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL422521 0.84 LMNA (0.40) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL424084 0.81 LMNA (0.38) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL427004 0.79 PPARG (0.47) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL424156 0.77 DGAT1 (0.43) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL424110 0.76 NR4A2 (0.47) LMNAALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL428663 0.76 NR4A2 (0.51) NR4A2SRD5A2FFAR1PTGER4
SCHEMBL424138 0.76 NR4A2 (0.51) NR4A2MEN1KMT2ASRD5A2FFAR1
SCHEMBL5733075 0.76 DGAT1 (0.40) LMNAALDH1A1KDM4EGAATSHR

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 LMNA 4306/4885ALDH1A1 596/4885KDM4E 1520/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI LMNA 4306/4885ALDH1A1 596/4885KDM4E 1520/4885

“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.