SCHEMBL663534

SCHEMBL663534

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 6/20 0.49
FAAH O00519 1/20 0.49
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAOB P27338 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46

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
SCHEMBL663535 1.00 DGAT1 (0.49) DGAT1FAAHEPHX2KDM4EALDH1A1
SCHEMBL10186133 1.00 DGAT1 (0.49) DGAT1FAAHEPHX2KDM4EALDH1A1
SCHEMBL10184403 0.94 DGAT1 (0.54) DGAT1FAAHEPHX2KDM4EALDH1A1
SCHEMBL10184909 0.92 DGAT1 (0.47) DGAT1NPC1HRH3
SCHEMBL10186476 0.91 SMN1; SMN2 (0.54) DGAT1ALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL10185036 0.91 EPHX2 (0.58) DGAT1FAAHEPHX2NPC1MEN1
SCHEMBL10186199 0.91 DGAT1 (0.46) DGAT1FAAHEPHX2NPC1HRH3
SCHEMBL10185006 0.90 EPHX2 (0.56) EPHX2KDM4EALDH1A1SMN1; SMN2HRH3
SCHEMBL10184323 0.90 DGAT1 (0.56) DGAT1ALDH1A1NPC1MEN1KMT2A
SCHEMBL664114 0.90 DGAT1 (0.56) DGAT1ALDH1A1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
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 1/4885FAAH 1026/4885EPHX2 1718/4885

“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.