SCHEMBL10185255

SCHEMBL10185255

O=C(NCCNC(=O)c1cccc(Oc2ccc(F)cc2)c1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
DGAT1 O75907 5/20 0.47
PKM P14618 1/20 0.46
PPARA Q07869 1/20 0.45
EPHX2 P34913 1/20 0.45
RAB9A P51151 1/20 0.45
F10 P00742 1/20 0.45
CCR3 P51677 1/20 0.44
SCN9A Q15858 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP2 P08253 1/20 0.44
CA9 Q16790 1/20 0.44
SOAT1 P35610 1/20 0.44
SLC5A7 Q9GZV3 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10186147 0.94 NPC1 (0.54) NPC1DGAT1PKMRAB9AF10
SCHEMBL10184332 0.92 DGAT1 (0.51) DGAT1EPHX2CA12CA1CA2
SCHEMBL10185254 0.90 MAPK14 (0.50) NPC1DGAT1PKMPPARAEPHX2
SCHEMBL10186404 0.89 DGAT1 (0.53) NPC1DGAT1EPHX2RAB9ASOAT1
SCHEMBL10184493 0.88 DGAT1 (0.47) DGAT1EPHX2SCN9ASOAT1KMT2A
SCHEMBL10185122 0.88 CA12 (0.56) DGAT1RAB9ACA12CA1CA2
SCHEMBL10185162 0.86 MTNR1B (0.51) DGAT1EPHX2F10CCR3CA12
SCHEMBL10186421 0.85 EPHX2 (0.52) DGAT1EPHX2F10SLC5A7
SCHEMBL10184899 0.85 RAB9A (0.54) NPC1DGAT1RAB9AF10CCR3
SCHEMBL10186201 0.85 DGAT1 (0.55) DGAT1EPHX2CCR3SOAT1MEN1

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 NPC1 201/4885DGAT1 1/4885PKM 2271/4885

“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.