SCHEMBL10186288

SCHEMBL10186288

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1F)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
NPC1 O15118 1/20 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
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
SMYD3 Q9H7B4 2/20 0.39
HRH3 Q9Y5N1 5/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 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
SCHEMBL10186286 0.99 SLC5A7 (0.40) TAOK1TAOK3NPC1TP53ALOX15
SCHEMBL10185110 0.91 USP2 (0.42) NPC1RAB9ASMN1; SMN2SLC5A7PDE4A
SCHEMBL10186283 0.88 SLC5A7 (0.44) TAOK1TAOK3NPC1TP53ALOX15
SCHEMBL10186518 0.87 RXFP1 (0.42) TAOK1TAOK3NPC1TP53ALOX15
SCHEMBL10185739 0.87 SLC5A7 (0.44) NPC1RAB9ASLC5A7SMYD3HRH3
SCHEMBL10185386 0.86 RXFP1 (0.43) TAOK1TAOK3NPC1TP53ALOX15
SCHEMBL10185767 0.85 HRH3 (0.44) NPC1TP53ALOX15MAPK1HTT
SCHEMBL10186450 0.84 ALDH1A1 (0.42) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL10185379 0.84 HRH3 (0.45) NPC1ALOX15RAB9ASMYD3HRH3
SCHEMBL10186257 0.84 HRH3 (0.53) ALOX15SMN1; SMN2SMYD3HRH3HDAC6

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 TAOK1 2493/4885TAOK3 2826/4885NPC1 201/4885

“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.