SCHEMBL10134729

SCHEMBL10134729

NCc1ccc(B(O)O)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.47
LOXL2 Q9Y4K0 4/20 0.39
ABAT P80404 1/20 0.38
ENPP2 Q13822 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
NOS1 P29475 6/20 0.35
NOS2 P35228 6/20 0.35
NOS3 P29474 4/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
ROCK1 Q13464 1/20 0.34
F10 P00742 1/20 0.33

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
SCHEMBL3780654 0.83 LPL (0.48) F11NOS1NOS2NOS3LPL
SCHEMBL3785854 0.83 ENPP2 (0.44) F11ENPP2NOS1NOS3LPL
SCHEMBL25381438 0.82 GAA (0.33) F11LPLLIPGGAAALDH1A1
SCHEMBL24803737 0.79 F11 (0.47) F11LOXL2ABATENPP2HRH3
SCHEMBL2560402 0.79 GABRA1 (0.46) ALDH1A1CYP3A4NFKB1
SCHEMBL3786518 0.77 SKP2 (0.56) LPLLIPGALDH1A1SMN1; SMN2CYP3A4
SCHEMBL27207991 0.77 SLC6A2 (0.44) LPLLIPGGAAALDH1A1SMN1; SMN2
SCHEMBL16635109 0.75 F11 (0.47) F11LOXL2ABATENPP2HRH3
SCHEMBL9939178 0.73 F11 (0.45) F11LOXL2ABATENPP2HRH3
SCHEMBL14287217 0.73 CASP1 (0.48) ENPP2GAAALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 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-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 F11 2329/4885LOXL2 3824/4885ABAT 2560/4885

“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.