SCHEMBL10185348

SCHEMBL10185348

O=C(NCCNC(=O)c1cc2ccc(F)cc2s1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.49
CHRNA7 P36544 2/20 0.41
HTR3A P46098 2/20 0.41
SOAT1 P35610 1/20 0.40
PRSS12 P56730 1/20 0.40
MMP12 P39900 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL10185623 0.93 DGAT1 (0.51) DGAT1CHRNA7HTR3ASOAT1MMP12
SCHEMBL10185040 0.90 HDAC1 (0.46) DGAT1CHRNA7PRSS12HDAC1HDAC2
SCHEMBL10184454 0.89 DGAT1 (0.44) DGAT1CHRNA7PRSS12MMP12UTS2R
SCHEMBL10186485 0.89 PRSS12 (0.51) DGAT1CHRNA7PRSS12
SCHEMBL10186235 0.89 CLK1 (0.47) DGAT1CHRNA7PRSS12HDAC1UTS2R
SCHEMBL10185102 0.88 UTS2R (0.42) DGAT1CHRNA7HTR3ASOAT1PRSS12
SCHEMBL10184525 0.88 DGAT1 (0.40) DGAT1CHRNA7HTR3ASOAT1PRSS12
SCHEMBL10186194 0.88 DGAT1 (0.43) DGAT1CHRNA7PRSS12HDAC1PTGDR2
SCHEMBL10184522 0.88 CHRNA7 (0.40) DGAT1CHRNA7HTR3ASOAT1PRSS12
SCHEMBL10185195 0.88 DGAT1 (0.50) DGAT1HDAC1HDAC2

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 DGAT1 1/4885CHRNA7 4193/4885HTR3A 2690/4885

“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.