SCHEMBL10186286

SCHEMBL10186286

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1F)c1ccc(N2CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A7 Q9GZV3 1/20 0.40
SMYD3 Q9H7B4 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
ALOX15 P16050 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL10186288 0.99 TAOK1 (0.41) SLC5A7SMYD3TAOK1TAOK3HDAC6
SCHEMBL10185110 0.92 USP2 (0.42) SLC5A7PDE4APDE4BPDE4CPDE4D
SCHEMBL10185739 0.88 SLC5A7 (0.44) SLC5A7SMYD3PDE4APDE4BPDE4C
SCHEMBL10185386 0.87 RXFP1 (0.43) SLC5A7SMYD3TAOK1TAOK3HDAC6
SCHEMBL10186283 0.87 SLC5A7 (0.44) SLC5A7SMYD3TAOK1TAOK3PDE4A
SCHEMBL10186518 0.86 RXFP1 (0.42) SLC5A7SMYD3TAOK1TAOK3HDAC6
SCHEMBL10186450 0.85 ALDH1A1 (0.42) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL10185379 0.85 HRH3 (0.45) SMYD3ALOX15NPC1RAB9AHRH3
SCHEMBL10185767 0.84 HRH3 (0.44) SMYD3ALOX15NPC1TP53MAPK1
SCHEMBL10186490 0.84 ENPP2 (0.42)

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 333/4885SMYD3 447/4885TAOK1 2493/4885

“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.