SCHEMBL10185185

SCHEMBL10185185

CCOc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
DGAT1 O75907 7/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PLK1 P53350 1/20 0.41

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
SCHEMBL10185235 0.91 NR1H4 (0.43) NPC1RAB9ADGAT1
SCHEMBL10186453 0.91 DGAT1 (0.42) NPC1RAB9ADGAT1SMN1; SMN2MAPT
SCHEMBL10185012 0.91 NPC1 (0.49) NPC1RAB9ADGAT1SMN1; SMN2MAPT
SCHEMBL10184935 0.90 TAS1R3 (0.44) NPC1RAB9ADGAT1SMN1; SMN2MAPT
SCHEMBL10184390 0.90 NPC1 (0.48) NPC1RAB9ADGAT1SMN1; SMN2MAPT
SCHEMBL10185397 0.90 NPC1 (0.48) NPC1RAB9ADGAT1SMN1; SMN2MAPT
SCHEMBL10186424 0.90 ALDH1A1 (0.46) NPC1DGAT1SMN1; SMN2ALDH1A1
SCHEMBL10185018 0.89 RAB9A (0.59) NPC1RAB9ADGAT1SMN1; SMN2MAPT
SCHEMBL10185016 0.89 RAB9A (0.59) NPC1RAB9ADGAT1SMN1; SMN2MAPT
SCHEMBL10184366 0.89 PDE4A (0.41) DGAT1SMN1; SMN2ALDH1A1L3MBTL1

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 NPC1 201/4885RAB9A 1660/4885DGAT1 1/4885

“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.