SCHEMBL10185138

SCHEMBL10185138

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1F)c1ccc(C2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
S1PR5 Q9H228 1/20 0.37
DGAT1 O75907 5/20 0.37
ENPP2 Q13822 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC3 O15379 1/20 0.36
USP5 P45974 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL10185230 0.91 PDE4A (0.45) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL10185609 0.90 PDE4A (0.44) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL10186216 0.89 PDE4A (0.48) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL10186450 0.89 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL10186490 0.88 ENPP2 (0.42) DGAT1ENPP2PTGDR2RXFP1
SCHEMBL10184421 0.87 DGAT1 (0.38) PDE4APDE4BPDE4CPDE4DDGAT1
SCHEMBL10185212 0.87 PDE4A (0.47) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL10186226 0.86 PDE4D (0.38) PDE4APDE4BPDE4CPDE4DDGAT1
SCHEMBL10185571 0.86 RXFP1 (0.45) ALDH1A1SMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL10185022 0.85 FAAH (0.49)

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 ALDH1A1 963/4885SMN1; SMN2 4464/4885PDE4A 1520/4885

“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.