SCHEMBL1870258

SCHEMBL1870258

Nc1nc(NCC(=O)O)nc(NCC(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
CA12 O43570 4/20 0.49
CA14 Q9ULX7 4/20 0.49
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP10 P09238 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44

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
SCHEMBL15440765 0.96 CYP1A2 (0.48) CA1CA2CA9CA12CA14
SCHEMBL721907 0.89 CA12 (0.51) CA1CA2CA9CA12CA14
SCHEMBL26985249 0.88 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL26985367 0.87 CA12 (0.52) CA1CA2CA9CA12CA14
SCHEMBL5884933 0.80 CA12 (0.46) CA1CA2CA9CA12CA14
SCHEMBL1872146 0.80 CA12 (0.36) CA1CA2CA9CA12CA14
SCHEMBL9438755 0.78 CA12 (0.59) CA1CA2CA9CA12CA14
SCHEMBL17089132 0.78 CA1 (0.45) CA1CA2CA9CA12CA14
SCHEMBL1868005 0.78 CA12 (0.54) CA1CA2CA9CA12CA14
SCHEMBL63021 0.77 MCL1 (0.38) CA1CA2CA9CYP1A2KDM4E

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-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
US-7135062-B2 Hydrophilic coloring matter for recording image, aqueous coloring agent for recording image, method and device for recording image DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2006-11-14 US disclosed
EP-1650268-A1 HYDROPHILIC COLORING MATTER FOR RECORDING IMAGE, AQUEOUS COLORING AGENT FOR RECORDING IMAGE, METHOD AND DEVICE FOR RECORDING IMAGE DAINICHISEIKA COLOR & CHEMICALS MFG. CO. LTD. (JP) 2006-04-26 EP disclosed
US-20050235874-A1 Hydrophilic coloring matter for recording image, aqueous coloring agent for recording image, method and device for recording image DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2005-10-27 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 CA1 129/4885CA2 142/4885CA9 95/4885

“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.