SCHEMBL424156

SCHEMBL424156

CCOC(=O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc(OCc3cc(N(C)C(C)=O)ccc3N3CCOCC3)cc1)n2C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.43
SOAT1 P35610 6/20 0.39
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 2/20 0.35
RXRA P19793 2/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM6 O15303 1/20 0.34

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
Hydrochloric Acid SCHEMBL425095 0.92 HSD17B10 (0.36) DGAT1ALDH1A1MEN1KMT2AGAA
SCHEMBL424155 0.88 DGAT1 (0.35) DGAT1SOAT1ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL428506 0.86 DGAT1 (0.36) DGAT1SOAT1ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL423907 0.86 DGAT1 (0.36) DGAT1SOAT1ALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL423828 0.85 EGFR (0.36) DGAT1ALDH1A1LMNAMEN1MAPT
SCHEMBL5733075 0.83 DGAT1 (0.40) DGAT1SOAT1ALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL423865 0.83 DGAT1 (0.40) DGAT1SOAT1ALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL429517 0.82 ADAM17 (0.32) MAPTRXRANR1H2NR1H3HSD17B10
SCHEMBL10252726 0.81 SCN9A (0.34) DGAT1ALDH1A1GAAKDM4ERXRA
Hydrochloric Acid SCHEMBL425094 0.80 SCN9A (0.34) ALDH1A1GAAKDM4ERXRANR1H2

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 DGAT1 2182/4885SOAT1 1324/4885ALDH1A1 596/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI DGAT1 2182/4885SOAT1 1324/4885ALDH1A1 596/4885

“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.