SCHEMBL10186462

SCHEMBL10186462

O=C(NCCNC(=O)c1cc(Cl)c(Cl)s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.48
▸ HSD17B10 Q99714 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EPHX2 P34913 3/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2J2 P51589 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
SCHEMBL10185377 0.90 DGAT1 (0.45) DGAT1HSD17B10HRH3L3MBTL1EPHX2
SCHEMBL10184950 0.90 DGAT1 (0.46) DGAT1HSD17B10HRH3L3MBTL1MMP12
SCHEMBL10185552 0.89 DGAT1 (0.46) DGAT1HSD17B10HRH3L3MBTL1MMP12
SCHEMBL10186440 0.88 PTGDR2 (0.38) DGAT1HRH3MMP12
SCHEMBL10184880 0.87 DGAT1 (0.49) DGAT1HSD17B10HRH3L3MBTL1
SCHEMBL10184394 0.86 HRH3 (0.41) DGAT1HRH3MMP12
SCHEMBL10185497 0.86 HDAC3 (0.47) DGAT1HSD17B10HRH3L3MBTL1
SCHEMBL10184488 0.86 HDAC3 (0.47) DGAT1HSD17B10
SCHEMBL10184403 0.85 DGAT1 (0.54) DGAT1HSD17B10HRH3L3MBTL1EPHX2
SCHEMBL10185132 0.85 HPGD (0.50) DGAT1HRH3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 — — US 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 1/4885HSD17B10 240/4885HRH3 2422/4885

“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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