SCHEMBL10186304

SCHEMBL10186304

O=C(NCCNC(=O)c1cc2cc(F)ccc2s1)c1cc(F)c(O[C@H]2CC[C@@H](C(=O)O)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.43
CHRNA7 P36544 4/20 0.41
HTR3A P46098 2/20 0.40
DGAT1 O75907 2/20 0.39
CLK1 P49759 5/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
MMP12 P39900 2/20 0.36
POLB P06746 1/20 0.36
HDAC1 Q13547 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CLK2 P49760 1/20 0.35

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
SCHEMBL10186534 0.90 RAB9A (0.46) UTS2RMEN1RAB9AKMT2APOLB
SCHEMBL10185381 0.89 UTS2R (0.47) UTS2RCHRNA7HTR3ADGAT1CLK1
SCHEMBL10185623 0.88 DGAT1 (0.51) UTS2RCHRNA7HTR3ADGAT1CLK1
SCHEMBL10186287 0.85 UTS2R (0.43) UTS2RCHRNA7HTR3ADGAT1CLK1
SCHEMBL662828 0.84 CLK1 (0.42) UTS2RCHRNA7HTR3ADGAT1CLK1
SCHEMBL10185723 0.84 UTS2R (0.45) UTS2RCHRNA7HTR3ADGAT1CLK1
SCHEMBL662829 0.84 CLK1 (0.42) UTS2RCHRNA7HTR3ADGAT1CLK1
SCHEMBL10185144 0.84 CLK1 (0.42) UTS2RCHRNA7HTR3ADGAT1CLK1
SCHEMBL10186508 0.83 UTS2R (0.48) UTS2RCHRNA7HTR3ADGAT1CLK1
SCHEMBL10185102 0.82 UTS2R (0.42) UTS2RCHRNA7HTR3ADGAT1MMP12

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 2678/4885CHRNA7 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.