SCHEMBL425923

SCHEMBL425923

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
GAA P10253 5/20 0.55
LMNA P02545 3/20 0.55
HSD17B10 Q99714 4/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 6/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
CASP3 P42574 1/20 0.42
ATM Q13315 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL422522 0.88 LMNA (0.48) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL2997472 0.78 ALDH1A1 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL425969 0.75 NR4A2 (0.52) NPC1MEN1KMT2AALOX5
SCHEMBL2992098 0.75 ALAD (0.40) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL422521 0.72 LMNA (0.40) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL2994395 0.68 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL2998829 0.68 KMT2A (0.40) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL2871149 0.68 EGFR (0.38) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL425802 0.68 PTGER1 (0.47)
SCHEMBL6018784 0.67 ALDH1A1 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2GAA

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 9 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-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 KDM4E 1520/4885ALDH1A1 596/4885HPGD 2210/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI KDM4E 1520/4885ALDH1A1 596/4885HPGD 2210/4885

“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.