SCHEMBL10186453

SCHEMBL10186453

CCc1ccc(C(=O)NCCNC(=O)c2ccc(O[C@H]3CC[C@@H](C(=O)O)CC3)cc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.42
ACSL1 P33121 5/20 0.42
SLC5A7 Q9GZV3 1/20 0.40
RORC P51449 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL10185185 0.91 NPC1 (0.50) DGAT1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10185474 0.90 HRH3 (0.45) DGAT1ACSL1SLC5A7RORCHRH3
SCHEMBL10186178 0.90 HRH3 (0.43) DGAT1ACSL1SLC5A7NPC1MAPT
SCHEMBL10185149 0.90 DGAT1 (0.50) DGAT1POLBCTDSP1TDP1NPC1
SCHEMBL10186424 0.89 ALDH1A1 (0.46) DGAT1ACSL1NPC1SMN1; SMN2ALDH1A1
SCHEMBL10184362 0.88 EPHX2 (0.51)
SCHEMBL10184366 0.88 PDE4A (0.41) DGAT1ACSL1SMN1; SMN2ALDH1A1HRH3
SCHEMBL10185096 0.87 ACSL1 (0.43) DGAT1ACSL1
SCHEMBL10186449 0.87 SMN1; SMN2 (0.46) DGAT1ACSL1POLBNPC1RAB9A
SCHEMBL10186434 0.86 ATM (0.46) DGAT1NPC1RAB9ASMN1; SMN2KMT2A

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 1/4885ACSL1 508/4885SLC5A7 333/4885

“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.