SCHEMBL10185012

SCHEMBL10185012

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 2/20 0.46
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DGAT1 O75907 5/20 0.45
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL10186100 0.91 NPC1 (0.46) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10184948 0.91 NPC1 (0.46) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10184946 0.91 ALDH1A1 (0.49) NPC1ALDH1A1HPGDSMN1; SMN2DGAT1
SCHEMBL10185185 0.91 NPC1 (0.50) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10184814 0.91 NPC1 (0.56) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10184903 0.91 NPC1 (0.56) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10184824 0.88 POLB (0.43) NPC1RAB9AALDH1A1SMN1; SMN2GLA
SCHEMBL10186081 0.87 CCR3 (0.43) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10185030 0.87 TSHR (0.45) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL10186095 0.87 POLB (0.42) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A

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 1660/4885ALDH1A1 963/4885

“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.