SCHEMBL1868005

SCHEMBL1868005

COC(=O)CNc1nc(N)nc(NCC(=O)OC)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.54
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
CA14 Q9ULX7 5/20 0.54
GAA P10253 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1871683 0.90 GAA (0.59) CA12CA1CA2CA9CA14
SCHEMBL1870258 0.78 CA1 (0.49) CA12CA1CA2CA9CA14
SCHEMBL1875415 0.75 GAA (0.57) CA12CA1CA2CA9CA14
Methoxymethane SCHEMBL5804833 0.74 NPC1 (0.37) CA1CA2CA9GAAKMT2A
SCHEMBL15440765 0.74 CYP1A2 (0.48) CA12CA1CA2CA9CA14
SCHEMBL11704831 0.72 KDM4E (0.60) GAAKMT2AMEN1ALDH1A1POLB
SCHEMBL63021 0.72 MCL1 (0.38) CA1CA2CA9GAAKMT2A
SCHEMBL9512208 0.72 NPC1 (0.34) CA12CA1CA2CA9CA14
SCHEMBL1866771 0.72 GAA (0.57) CA12CA1CA2CA9CA14
SCHEMBL4444984 0.71 NPC1 (0.35) CA1CA2CA9GAAALDH1A1

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-20110105654-A1 Method for Producing a Compound with at Least One at Least Monosubstituted Amino Group BOREALIS AGROLINZ MELAMINE GMBH (AT) 2011-05-05 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-20110105654-A1 Method for Producing a Compound with at Least One at Least Monosubstituted Amino Group GNMT, PAM, SMOX CA12 190/4885CA1 129/4885CA2 142/4885

“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.