SCHEMBL10186283

SCHEMBL10186283

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 1/20 0.44
PDE4D Q08499 6/20 0.42
PDE4A P27815 5/20 0.42
PDE4B Q07343 5/20 0.42
PDE4C Q08493 5/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SMYD3 Q9H7B4 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM1 P11229 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.39

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
SCHEMBL10185739 0.99 SLC5A7 (0.44) SLC5A7PDE4DPDE4APDE4BPDE4C
SCHEMBL10185389 0.91 MAPT (0.44) SLC5A7PDE4DPDE4APDE4BPDE4C
SCHEMBL10186518 0.90 RXFP1 (0.42) SLC5A7PDE4DPDE4APDE4BPDE4C
SCHEMBL10186532 0.90 SMYD3 (0.41) HRH3SMYD3RAB9ANPC1TP53
SCHEMBL10185386 0.89 RXFP1 (0.43) SLC5A7PDE4DPDE4APDE4BPDE4C
SCHEMBL10186288 0.88 TAOK1 (0.41) SLC5A7PDE4DPDE4APDE4BPDE4C
SCHEMBL10186286 0.87 SLC5A7 (0.40) SLC5A7PDE4DPDE4APDE4BPDE4C
SCHEMBL10185745 0.86 HRH3 (0.44) HRH3SMYD3RAB9ANPC1TP53
SCHEMBL10186257 0.85 HRH3 (0.53) HRH3SMYD3ALOX15SMN1; SMN2KMT2A
SCHEMBL10185751 0.85 HRH3 (0.44) HRH3SMYD3ALOX15KMT2ADGAT1

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 SLC5A7 333/4885PDE4D 2536/4885PDE4A 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.