SCHEMBL10184950

SCHEMBL10184950

Cc1cc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2)sc1Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 7/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MMP12 P39900 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
SCHEMBL10184949 0.91 DGAT1 (0.39) DGAT1HRH3MMP12
SCHEMBL10186462 0.90 DGAT1 (0.48) DGAT1HRH3L3MBTL1HSD17B10LMNA
SCHEMBL10185552 0.87 DGAT1 (0.46) DGAT1HRH3L3MBTL1HSD17B10MMP12
SCHEMBL10186189 0.87 HRH3 (0.42) DGAT1HRH3MMP12
SCHEMBL10184880 0.85 DGAT1 (0.49) DGAT1HRH3L3MBTL1HSD17B10
SCHEMBL10186440 0.85 PTGDR2 (0.38) DGAT1HRH3MMP12
SCHEMBL10185451 0.85 DGAT1 (0.46) DGAT1HRH3L3MBTL1MAPTLMNA
SCHEMBL662784 0.85 DGAT1 (0.46) DGAT1HRH3L3MBTL1MAPTLMNA
SCHEMBL10186152 0.85 HRH3 (0.45) DGAT1HRH3L3MBTL1ALDH1A1LMNA
SCHEMBL662783 0.85 DGAT1 (0.46) DGAT1HRH3L3MBTL1MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US disclosed
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 — — WO 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 (1 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 DGAT1 1/4885HRH3 2422/4885L3MBTL1 607/4885

“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.

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