SCHEMBL10185194

SCHEMBL10185194

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1)c1ccc(OCC2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
DGAT1 O75907 7/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
NR1H4 Q96RI1 1/20 0.41
NPC1 O15118 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ACACB O00763 1/20 0.40

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
SCHEMBL10185129 0.92 PARP15 (0.48) HRH3DGAT1NR1H4NPC1PARP15
SCHEMBL10186419 0.90 PARP15 (0.50) HRH3DGAT1NR1H4PARP15PARP10
SCHEMBL10184929 0.90 HRH3 (0.40) HRH3DGAT1KDM4ELMNANR1H4
SCHEMBL10184403 0.85 DGAT1 (0.54) HRH3DGAT1KDM4ELMNA
SCHEMBL10185016 0.83 RAB9A (0.59) HRH3DGAT1NPC1
SCHEMBL10185018 0.83 RAB9A (0.59) HRH3DGAT1NPC1
SCHEMBL10185118 0.82 MAPT (0.48) DGAT1KDM4ELMNANPC1
SCHEMBL10185424 0.82 HRH3 (0.55) HRH3DGAT1KDM4ELMNA
SCHEMBL10185235 0.82 NR1H4 (0.43) DGAT1NR1H4NPC1PARP15PARP10
SCHEMBL10184323 0.82 DGAT1 (0.56) HRH3DGAT1LMNANPC1

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 HRH3 2422/4885DGAT1 1/4885KDM4E 3060/4885

“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.