SCHEMBL10185772

SCHEMBL10185772

O=C(NCCNC(=O)c1ccc2cccnc2c1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.47
▸ EGLN1 Q9GZT9 1/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ CHRNA7 P36544 3/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ MAPK14 Q16539 1/20 0.43
▸ ACSL1 P33121 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
SCHEMBL10186294 0.92 HTR1A (0.48) DGAT1RAB9ANPC1HDAC1
SCHEMBL10186292 0.88 RAB9A (0.47) DGAT1RAB9ANPC1
SCHEMBL10185532 0.87 DGAT1 (0.57) DGAT1RAB9AHDAC3HDAC1
SCHEMBL662996 0.87 DGAT1 (0.57) DGAT1RAB9AHDAC3HDAC1
SCHEMBL662997 0.87 DGAT1 (0.57) DGAT1RAB9AHDAC3HDAC1
SCHEMBL10186300 0.83 DGAT1 (0.50) DGAT1RAB9ANPC1HDAC3HDAC1
SCHEMBL10185116 0.83 DGAT1 (0.47) DGAT1RAB9ANPC1CHRNA7
SCHEMBL10184403 0.83 DGAT1 (0.54) DGAT1
SCHEMBL10184911 0.82 DGAT1 (0.49) DGAT1RAB9ANPC1HDAC3HDAC1
SCHEMBL10185798 0.82 DGAT1 (0.52) DGAT1RAB9AHDAC3HDAC1ACSL1

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 1/4885EGLN1 2857/4885RAB9A 1660/4885

“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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