SCHEMBL10185612

SCHEMBL10185612

O=C(NCCNC(=O)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1)c1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.54
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
GLA P06280 1/20 0.48
DGAT1 O75907 5/20 0.47
HIF1A Q16665 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
CHRM4 P08173 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 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
SCHEMBL662165 0.88 MAOA (0.49) NR4A2MAOAMAOBTRPV1RAB9A
SCHEMBL662164 0.88 MAOA (0.49) NR4A2MAOAMAOBTRPV1RAB9A
SCHEMBL10185462 0.87 DGAT1 (0.55) DGAT1CHRM4RAB9ANPC1HSD17B10
SCHEMBL664113 0.86 DGAT1 (0.56) DGAT1RAB9ANPC1HSD17B10
SCHEMBL664114 0.86 DGAT1 (0.56) DGAT1RAB9ANPC1HSD17B10
SCHEMBL10184323 0.86 DGAT1 (0.56) DGAT1RAB9ANPC1HSD17B10
SCHEMBL10184881 0.85 DGAT1 (0.50) DGAT1RAB9ANPC1HSD17B10
SCHEMBL10186476 0.84 SMN1; SMN2 (0.54) NR4A2MAOAMAOBDGAT1CHRM4
SCHEMBL10184403 0.84 DGAT1 (0.54) DGAT1HSD17B10
SCHEMBL663534 0.84 DGAT1 (0.49) MAOBDGAT1RAB9ANPC1

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 NR4A2 2671/4885MAOA 1968/4885MAOB 2552/4885

“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.