SCHEMBL10186145

SCHEMBL10186145

O=C(NCCNC(=O)c1cccc(-c2ccccc2)c1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.49
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ACSL1 P33121 1/20 0.45
CDK4 P11802 1/20 0.45
CCND1 P24385 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SLC5A7 Q9GZV3 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F10 P00742 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
SCHEMBL10185608 0.93 SMN1; SMN2 (0.57) HPGDKDM4EALDH1A1SMN1; SMN2CDK4
SCHEMBL10184493 0.93 DGAT1 (0.47) DGAT1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL10184323 0.91 DGAT1 (0.56) DGAT1HPGDALDH1A1HSD17B10MEN1
SCHEMBL664114 0.91 DGAT1 (0.56) DGAT1HPGDALDH1A1HSD17B10MEN1
SCHEMBL664113 0.91 DGAT1 (0.56) DGAT1HPGDALDH1A1HSD17B10MEN1
SCHEMBL10186059 0.89 KDM4E (0.46) DGAT1HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL10186147 0.88 NPC1 (0.54) DGAT1SLC5A7MEN1KMT2AF10
SCHEMBL10184403 0.87 DGAT1 (0.54) DGAT1KDM4EALDH1A1EPHX2HSD17B10
SCHEMBL10185204 0.87 ACSL1 (0.49) DGAT1SMN1; SMN2ACSL1MEN1KMT2A
SCHEMBL10186131 0.87 NPC1 (0.49) DGAT1SMN1; SMN2

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 1/4885HPGD 3492/4885KDM4E 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.