SCHEMBL10185195

SCHEMBL10185195

O=C(NCCNC(=O)c1cc2ccccc2s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.50
RAB9A P51151 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HDAC2 Q92769 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
CLK1 P49759 1/20 0.45
ACKR3 P25106 1/20 0.44
SENP5 Q96HI0 1/20 0.44
SENP2 Q9HC62 1/20 0.44
SENP1 Q9P0U3 1/20 0.44
NAMPT P43490 1/20 0.44
HSD17B10 Q99714 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
KDM1A O60341 1/20 0.43
PLD2 O14939 1/20 0.43
PLD1 Q13393 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
SCHEMBL10185040 0.89 HDAC1 (0.46) DGAT1HDAC2HDAC3HDAC1CLK1
SCHEMBL10186485 0.88 PRSS12 (0.51) DGAT1
SCHEMBL10186235 0.88 CLK1 (0.47) DGAT1RAB9AHDAC1CLK1
SCHEMBL10185348 0.88 DGAT1 (0.49) DGAT1HDAC2HDAC1
SCHEMBL10185239 0.88 UTS2R (0.44) DGAT1HDAC1CLK1
SCHEMBL10185328 0.88 CLK1 (0.56) DGAT1HDAC1CLK1
SCHEMBL10185623 0.88 DGAT1 (0.51) DGAT1HDAC1CLK1
SCHEMBL10186473 0.88 CLK1 (0.45) DGAT1HDAC1CLK1
SCHEMBL10186464 0.87 DGAT1 (0.43) DGAT1RAB9AHDAC1CLK1HSD17B10
SCHEMBL10186194 0.87 DGAT1 (0.43) DGAT1HDAC1HSD17B10

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 1/4885RAB9A 1660/4885SLC6A2 428/4885

“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.