SCHEMBL10186147

SCHEMBL10186147

O=C(NCCNC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
PKM P14618 1/20 0.52
RAB9A P51151 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP2 P08253 1/20 0.50
CA9 Q16790 1/20 0.50
DGAT1 O75907 3/20 0.48
SLC5A7 Q9GZV3 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
F10 P00742 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
LMNA P02545 1/20 0.47
CHRM4 P08173 1/20 0.46
CCR3 P51677 1/20 0.45
SNCA P37840 1/20 0.45

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
SCHEMBL10185255 0.94 NPC1 (0.47) NPC1PKMRAB9ACA12CA1
SCHEMBL10185122 0.93 CA12 (0.56) RAB9ACA12CA1CA2MMP2
SCHEMBL10185254 0.92 MAPK14 (0.50) NPC1PKMRAB9ACA12CA1
SCHEMBL664114 0.90 DGAT1 (0.56) NPC1RAB9ADGAT1MEN1KMT2A
SCHEMBL664113 0.90 DGAT1 (0.56) NPC1RAB9ADGAT1MEN1KMT2A
SCHEMBL10184323 0.90 DGAT1 (0.56) NPC1RAB9ADGAT1MEN1KMT2A
SCHEMBL10185162 0.90 MTNR1B (0.51) CA12CA1CA2MMP2CA9
SCHEMBL10184899 0.88 RAB9A (0.54) NPC1RAB9ACA1CA2CA9
SCHEMBL10186145 0.88 DGAT1 (0.49) DGAT1SLC5A7MEN1KMT2AF10
SCHEMBL10186421 0.87 EPHX2 (0.52) DGAT1SLC5A7F10

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 201/4885PKM 2271/4885RAB9A 1660/4885

“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.