SCHEMBL10186302

SCHEMBL10186302

O=C(O)C[C@H]1CC[C@@H](Oc2ccc(C(=O)NCCNC(=O)c3ccc4ccccc4c3)c(F)c2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
DGAT1 O75907 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
AR P10275 2/20 0.41
NR1H4 Q96RI1 3/20 0.41
PPARG P37231 2/20 0.41
PDE4A P27815 4/20 0.41
PDE4B Q07343 4/20 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
SCHEMBL10185415 0.90 AR (0.47) ENPP2DGAT1HDAC3HDAC4HDAC1
SCHEMBL10186301 0.89 ENPP2 (0.44) ENPP2DGAT1HDAC3HDAC4HDAC1
SCHEMBL662807 0.89 ENPP2 (0.44) ENPP2DGAT1HDAC3HDAC4HDAC1
SCHEMBL662806 0.89 ENPP2 (0.44) ENPP2DGAT1HDAC3HDAC4HDAC1
SCHEMBL661468 0.88 AR (0.43) ENPP2DGAT1HDAC3HDAC4HDAC1
SCHEMBL661467 0.88 AR (0.43) ENPP2DGAT1HDAC3HDAC4HDAC1
SCHEMBL10184530 0.87 DGAT1 (0.44) ENPP2DGAT1HDAC3HDAC4HDAC1
SCHEMBL660936 0.84 DGAT1 (0.55) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL660935 0.84 DGAT1 (0.55) DGAT1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10185230 0.79 PDE4A (0.45) ENPP2DGAT1PDE4APDE4BPDE4C

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 ENPP2 812/4885DGAT1 1/4885HDAC3 974/4885

“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.