SCHEMBL10185470

SCHEMBL10185470

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ DGAT1 O75907 9/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ GLA P06280 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL10186102 0.90 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MAPTDGAT1
SCHEMBL16527590 0.89 DGAT1 (0.51) NPC1RAB9ASMN1; SMN2MAPTDGAT1
SCHEMBL16527591 0.89 DGAT1 (0.51) NPC1RAB9ASMN1; SMN2MAPTDGAT1
SCHEMBL10185421 0.87 DGAT1 (0.50) SMN1; SMN2DGAT1ALDH1A1
SCHEMBL661514 0.82 DGAT1 (0.59) SMN1; SMN2DGAT1ALDH1A1
SCHEMBL13117523 0.80 DGAT1 (0.52) SMN1; SMN2MAPTDGAT1ALDH1A1LMNA
SCHEMBL16527728 0.80 HTT (0.51) NPC1RAB9ASMN1; SMN2MAPTDGAT1
SCHEMBL16527729 0.80 HTT (0.51) NPC1RAB9ASMN1; SMN2MAPTDGAT1
SCHEMBL10186205 0.80 DGAT1 (0.52) SMN1; SMN2DGAT1ALDH1A1
SCHEMBL16527620 0.79 GCGR (0.50) DGAT1

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 1660/4885SMN1; 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.

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