SCHEMBL10186102

SCHEMBL10186102

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ GLA P06280 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PLK1 P53350 1/20 0.45
▸ DGAT1 O75907 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL10185470 0.90 NPC1 (0.55) RAB9ANPC1ALDH1A1GLAL3MBTL1
SCHEMBL16527729 0.89 HTT (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16527728 0.89 HTT (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10184298 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTLMNADGAT1
SCHEMBL10184848 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAPOLB
SCHEMBL10186109 0.83 HDAC3 (0.47) RAB9AALDH1A1SMN1; SMN2DGAT1
SCHEMBL10184275 0.81 HPGD (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16527590 0.80 DGAT1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL16527591 0.80 DGAT1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10184835 0.80 HPGD (0.44) ALDH1A1L3MBTL1SMN1; SMN2MAPTHPGD

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 201/4885ALDH1A1 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.

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