SCHEMBL10185397

SCHEMBL10185397

CCOc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.45
DGAT1 O75907 6/20 0.44
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CCR3 P51677 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
PTGDR2 Q9Y5Y4 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
SCHEMBL10186178 0.91 HRH3 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10186435 0.91 HRH3 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1DGAT1
SCHEMBL10184941 0.91 MEN1 (0.45) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL10184948 0.90 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL10185185 0.90 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10186182 0.88 PTGDR2 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1DGAT1
SCHEMBL10184390 0.88 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10185151 0.88 CCR3 (0.50) NPC1RAB9ASMN1; SMN2DGAT1HRH3
SCHEMBL10185016 0.88 RAB9A (0.59) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL10185018 0.88 RAB9A (0.59) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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 1660/4885TP53 4061/4885

“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.