SCHEMBL13645850

SCHEMBL13645850

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.71
ACACA Q13085 4/20 0.65
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAOB P27338 1/20 0.57
ALOX5 P09917 1/20 0.56
F7 P08709 1/20 0.56
PTGES O14684 1/20 0.55
BCHE P06276 1/20 0.53
MEN1 O00255 1/20 0.53
MTNR1A P48039 3/20 0.52
MTNR1B P49286 3/20 0.52
NR4A2 P43354 1/20 0.52

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
SCHEMBL13645876 0.86 ACACB (0.55) ACACBACACAKMT2ABCHEMEN1
SCHEMBL16063344 0.84 ACACB (1.00) ACACBACACA
SCHEMBL10779640 0.83 ACACB (0.54) ACACBACACAKMT2ASMN1; SMN2MAOB
SCHEMBL10779636 0.83 ACACB (0.54) ACACBACACAKMT2ASMN1; SMN2MAOB
SCHEMBL13645881 0.82 ACACB (0.61) ACACBACACAMTNR1AMTNR1B
SCHEMBL27904638 0.82 BCHE (0.59) ACACBKMT2ASMN1; SMN2MAOBALOX5
SCHEMBL29675897 0.81 ACACB (0.60) ACACBACACAMTNR1AMTNR1B
SCHEMBL2986567 0.81 ALOX5 (0.67) KMT2ASMN1; SMN2MAOBALOX5PTGES
SCHEMBL27833465 0.81 ALOX5 (0.67) ACACBKMT2ASMN1; SMN2MAOBALOX5
SCHEMBL2853880 0.80 ALOX5 (0.63) ACACBKMT2ASMN1; SMN2MAOBALOX5

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 3231/4885KMT2A 2048/4885

“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.