SCHEMBL10185239

SCHEMBL10185239

O=C(NCCNC(=O)c1cc2cc(Cl)ccc2s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.44
DGAT1 O75907 7/20 0.44
PRSS12 P56730 1/20 0.43
CLK1 P49759 3/20 0.43
F10 P00742 1/20 0.42
CHRNA7 P36544 2/20 0.41
HTR3A P46098 2/20 0.41
HDAC1 Q13547 1/20 0.40
EPHX2 P34913 2/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2J2 P51589 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
SCHEMBL10186485 0.93 PRSS12 (0.51) DGAT1PRSS12F10CHRNA7
SCHEMBL10185328 0.89 CLK1 (0.56) UTS2RDGAT1CLK1CHRNA7HTR3A
SCHEMBL10186473 0.89 CLK1 (0.45) UTS2RDGAT1CLK1CHRNA7HTR3A
SCHEMBL10185623 0.89 DGAT1 (0.51) UTS2RDGAT1CLK1CHRNA7HTR3A
SCHEMBL10186464 0.88 DGAT1 (0.43) DGAT1CLK1CHRNA7HTR3AHDAC1
SCHEMBL10185195 0.88 DGAT1 (0.50) DGAT1CLK1HDAC1
SCHEMBL10185286 0.87 UTS2R (0.46) UTS2RDGAT1CLK1CHRNA7HTR3A
SCHEMBL10185719 0.87 UTS2R (0.46) UTS2RPRSS12F10CHRNA7HTR3A
SCHEMBL10186265 0.87 UTS2R (0.41) UTS2RDGAT1PRSS12CLK1CHRNA7
SCHEMBL10185736 0.86 UTS2R (0.42) UTS2RDGAT1PRSS12CLK1F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US 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 UTS2R 2678/4885DGAT1 1/4885PRSS12 3098/4885

“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.