SCHEMBL424155

SCHEMBL424155

CCOC(=O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc(OCc3cc(N(C)C(C)=O)ccc3N3CCOCC3)cc1)n2C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.35
SCN9A Q15858 1/20 0.33
RXRA P19793 2/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
SOAT1 P35610 2/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10252547 0.93 SCN9A (0.34) SCN9ARXRANR1H2NR1H3
SCHEMBL10252726 0.92 SCN9A (0.34) DGAT1SCN9ARXRANR1H2NR1H3
Hydrochloric Acid SCHEMBL425094 0.92 SCN9A (0.34) SCN9ARXRANR1H2NR1H3GAA
SCHEMBL424156 0.88 DGAT1 (0.43) DGAT1RXRANR1H2NR1H3SOAT1
SCHEMBL10252713 0.87 SCN9A (0.33) DGAT1SCN9AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL428505 0.87 SCN9A (0.33) DGAT1SCN9AGAAKDM4EALDH1A1
SCHEMBL10253115 0.86 HRH3 (0.38) DGAT1SCN9AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL423906 0.86 SCN9A (0.33) DGAT1SCN9AGAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL423827 0.85 HRH3 (0.37) DGAT1SCN9AGAAKDM4EALDH1A1
SCHEMBL5733072 0.85 FFAR4 (0.34) DGAT1SCN9ASIRT2SIRT1SIRT3

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 DGAT1 2182/4885SCN9A 3095/4885RXRA 4275/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI DGAT1 2182/4885SCN9A 3095/4885RXRA 4275/4885

“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.