SCHEMBL10185018

SCHEMBL10185018

CCOc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@H](C(=O)O)CC3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PLK1 P53350 1/20 0.49
DGAT1 O75907 6/20 0.48
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL10185016 1.00 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10184403 0.92 DGAT1 (0.54) ALDH1A1L3MBTL1DGAT1HRH3MEN1
SCHEMBL10185119 0.92 NPC1 (0.56) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10184440 0.91 NPC1 (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10184899 0.90 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL10185184 0.90 NPC1 (0.48) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL10185185 0.89 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10185149 0.89 DGAT1 (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10185047 0.89 NPC1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10185044 0.89 LMNA (0.54) NPC1L3MBTL1DGAT1HRH3

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 RAB9A 1660/4885NPC1 201/4885SMN1; SMN2 4464/4885

“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.