SCHEMBL13645876

SCHEMBL13645876

CC(=O)NC(C)c1cccc(OC(=O)OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.55
ACACA Q13085 6/20 0.51
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CASR P41180 1/20 0.45

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
SCHEMBL13645850 0.86 ACACB (0.71) ACACBACACABCHEMTNR1AMTNR1B
SCHEMBL13645878 0.79 ACACB (0.58) ACACBACACAMTNR1AMTNR1B
SCHEMBL14380839 0.76 ACACB (0.67) ACACBACACAMTNR1AMTNR1BMEN1
SCHEMBL7593971 0.76 KMT2A (0.56) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL6969020 0.76 ACACB (0.67) ACACBACACAMTNR1AMTNR1BMEN1
SCHEMBL23008631 0.75 MEN1 (0.47) BCHEACHEMEN1HTTGFER
SCHEMBL697595 0.75 KMT2A (0.60) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL21980920 0.74 KMT2A (0.54) MEN1HTTGFERKMT2AHSD17B10
SCHEMBL13645881 0.74 ACACB (0.61) ACACBACACAMTNR1AMTNR1B
SCHEMBL21469067 0.73 ATM (0.68) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ACACB 4200/4885ACACA 3231/4885BCHE 3723/4885

“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.