SCHEMBL10185462

SCHEMBL10185462

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.55
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CHRM4 P08173 5/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SPHK2 Q9NRA0 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL10186476 0.90 SMN1; SMN2 (0.54) DGAT1CHRM4NPC1RAB9ASMN1; SMN2
SCHEMBL664114 0.90 DGAT1 (0.56) DGAT1NPC1RAB9AHSD17B10
SCHEMBL664113 0.90 DGAT1 (0.56) DGAT1NPC1RAB9AHSD17B10
SCHEMBL10184323 0.90 DGAT1 (0.56) DGAT1NPC1RAB9AHSD17B10
SCHEMBL10186209 0.89 RXRA (0.55) DGAT1NPC1RAB9ASPHK2SMN1; SMN2
SCHEMBL10184453 0.89 CHRM4 (0.57) DGAT1CHRM4SPHK2SPHK1HSD17B10
SCHEMBL10184959 0.89 EGFR (0.57) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL10184403 0.88 DGAT1 (0.54) DGAT1HSD17B10
SCHEMBL10185612 0.87 NR4A2 (0.54) DGAT1CHRM4NPC1RAB9AHSD17B10
SCHEMBL10185210 0.87 DGAT1 (0.48) DGAT1CHRM4NPC1RAB9ASPHK2

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 DGAT1 1/4885HDAC3 974/4885HDAC1 1223/4885

“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.