SCHEMBL10184396

SCHEMBL10184396

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
DGAT1 O75907 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
ACSL3 O95573 1/20 0.40
ACSL1 P33121 1/20 0.40
ACSL6 Q9UKU0 1/20 0.40
FAAH O00519 1/20 0.40
EPHX2 P34913 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
SCHEMBL10185167 0.94 DGAT1 (0.43) DGAT1PTGDR2NPC1FAAHEPHX2
SCHEMBL10186435 0.91 HRH3 (0.45) KDM4EDGAT1SMN1; SMN2ALDH1A1PTGDR2
SCHEMBL10186424 0.90 ALDH1A1 (0.46) KDM4EDGAT1SMN1; SMN2ALDH1A1PTGDR2
SCHEMBL10185026 0.89 HRH3 (0.44) KDM4EDGAT1SMN1; SMN2ALDH1A1PTGDR2
SCHEMBL663534 0.88 DGAT1 (0.49) KDM4EDGAT1SMN1; SMN2ALDH1A1NPC1
SCHEMBL663535 0.88 DGAT1 (0.49) KDM4EDGAT1SMN1; SMN2ALDH1A1NPC1
SCHEMBL10186133 0.88 DGAT1 (0.49) KDM4EDGAT1SMN1; SMN2ALDH1A1NPC1
SCHEMBL10185372 0.88 PTGDR2 (0.44) KDM4EDGAT1SMN1; SMN2ALDH1A1PTGDR2
SCHEMBL664029 0.87 MAPT (0.47) KDM4ELMNADGAT1SMN1; SMN2ALDH1A1
SCHEMBL664030 0.87 MAPT (0.47) KDM4ELMNADGAT1SMN1; SMN2ALDH1A1

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 KDM4E 3060/4885LMNA 2889/4885HTT 922/4885

“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.