SCHEMBL10185133

SCHEMBL10185133

COc1ccc(Cl)cc1C(=O)NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
DNMT3A Q9Y6K1 1/20 0.48
DRD2 P14416 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GAA P10253 1/20 0.45
NLRP3 Q96P20 3/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL10185062 0.92 HPGD (0.47) LMNAHPGDHSD17B10GAAMEN1
SCHEMBL664030 0.89 MAPT (0.47) LMNAHPGDHSD17B10GAAKMT2A
SCHEMBL664029 0.89 MAPT (0.47) LMNAHPGDHSD17B10GAAKMT2A
SCHEMBL10184318 0.87 PDE4A (0.47) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL10184434 0.87 ALDH1A1 (0.53) GAAMEN1KMT2ANPC1
SCHEMBL10185199 0.86 DGAT1 (0.46) NPC1PTGDR2
SCHEMBL10186410 0.86 DGAT1 (0.49) LMNAHPGDMEN1KMT2ANPC1
SCHEMBL10186445 0.86 POLB (0.47) NPC1PTGDR2
SCHEMBL663535 0.85 DGAT1 (0.49) MEN1KMT2ANPC1
SCHEMBL663534 0.85 DGAT1 (0.49) MEN1KMT2ANPC1

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 LMNA 2889/4885DNMT3A 2835/4885DRD2 1147/4885

“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.