SCHEMBL10186235

SCHEMBL10186235

COc1ccc2cc(C(=O)NCCNC(=O)c3ccc(O[C@H]4CC[C@@H](C(=O)O)CC4)cc3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.47
CHRNA7 P36544 3/20 0.46
DGAT1 O75907 7/20 0.44
HDAC1 Q13547 2/20 0.42
UTS2R Q9UKP6 1/20 0.40
SCD O00767 1/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
PRSS12 P56730 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL10185328 0.93 CLK1 (0.56) CLK1CHRNA7DGAT1HDAC1UTS2R
SCHEMBL10185040 0.92 HDAC1 (0.46) CLK1CHRNA7DGAT1HDAC1PRSS12
SCHEMBL10185348 0.89 DGAT1 (0.49) CHRNA7DGAT1HDAC1UTS2RPRSS12
SCHEMBL10186485 0.89 PRSS12 (0.51) CHRNA7DGAT1PRSS12
SCHEMBL10186194 0.88 DGAT1 (0.43) CHRNA7DGAT1HDAC1PRSS12
SCHEMBL10185195 0.88 DGAT1 (0.50) CLK1DGAT1HDAC1RAB9A
SCHEMBL10184454 0.87 DGAT1 (0.44) CHRNA7DGAT1UTS2RPRSS12
SCHEMBL10184966 0.86 ACHE (0.52) DGAT1ACHENPC1RAB9A
SCHEMBL10186473 0.85 CLK1 (0.45) CLK1CHRNA7DGAT1HDAC1UTS2R
SCHEMBL10186477 0.84 ACHE (0.50) DGAT1ACHENPC1RAB9A

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 CLK1 2402/4885CHRNA7 4193/4885DGAT1 1/4885

“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.