SCHEMBL10185129

SCHEMBL10185129

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1)c1ccc(OCC2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.48
PARP10 Q53GL7 3/20 0.48
PARP2 Q9UGN5 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
DGAT1 O75907 7/20 0.47
HRH3 Q9Y5N1 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL10186419 0.95 PARP15 (0.50) PARP15PARP10PARP2NR1H4DGAT1
SCHEMBL10185194 0.92 HRH3 (0.47) PARP15PARP10PARP2NR1H4DGAT1
SCHEMBL10184403 0.90 DGAT1 (0.54) DGAT1HRH3
SCHEMBL10185235 0.89 NR1H4 (0.43) PARP15PARP10PARP2NR1H4DGAT1
SCHEMBL10184956 0.88 DGAT1 (0.46) DGAT1NPC1RAB9A
SCHEMBL10185016 0.88 RAB9A (0.59) DGAT1HRH3NPC1RAB9A
SCHEMBL10185018 0.88 RAB9A (0.59) DGAT1HRH3NPC1RAB9A
SCHEMBL10185118 0.87 MAPT (0.48) DGAT1NPC1RAB9A
SCHEMBL10185211 0.87 PDE4A (0.45) PARP15PARP10PARP2NR1H4DGAT1
SCHEMBL10184335 0.87 PDE4A (0.45) DGAT1

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 PARP15 1911/4885PARP10 1704/4885PARP2 3367/4885

“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.