SCHEMBL10185122

SCHEMBL10185122

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MMP2 P08253 1/20 0.56
CA9 Q16790 1/20 0.56
DGAT1 O75907 5/20 0.53
HSD17B10 Q99714 1/20 0.49
MMP1 P03956 1/20 0.49
HPGD P15428 1/20 0.49
CHRM4 P08173 3/20 0.47
USP5 P45974 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47

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
SCHEMBL664114 0.94 DGAT1 (0.56) DGAT1HSD17B10HPGDOPRM1OPRD1
SCHEMBL664113 0.94 DGAT1 (0.56) DGAT1HSD17B10HPGDOPRM1OPRD1
SCHEMBL10184323 0.94 DGAT1 (0.56) DGAT1HSD17B10HPGDOPRM1OPRD1
SCHEMBL10186147 0.93 NPC1 (0.54) CA12CA1CA2MMP2CA9
SCHEMBL10184403 0.92 DGAT1 (0.54) DGAT1HSD17B10OPRM1OPRD1MEN1
SCHEMBL10185270 0.91 MMP13 (0.57) CA12CA1CA2MMP2CA9
SCHEMBL10184332 0.91 DGAT1 (0.51) CA12CA1CA2MMP2CA9
SCHEMBL10185162 0.89 MTNR1B (0.51) CA12CA1CA2MMP2CA9
SCHEMBL10184898 0.88 DGAT1 (0.52) DGAT1HSD17B10LMNA
SCHEMBL10185165 0.88 DGAT1 (0.52) CA12CA1CA2MMP2CA9

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 CA12 4203/4885CA1 4328/4885CA2 3485/4885

“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.