SCHEMBL1870097

SCHEMBL1870097

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
KDM4E B2RXH2 1/20 0.37
KLK7 P49862 1/20 0.37
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP10 P09238 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
CA4 P22748 3/20 0.35
CA6 P23280 3/20 0.35
CA5A P35218 3/20 0.35
CA7 P43166 3/20 0.35
CA13 Q8N1Q1 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
HTT P42858 1/20 0.34
KDM4C Q9H3R0 6/20 0.34

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
SCHEMBL1872146 0.93 CA12 (0.36) CA12CA1CA2CA9CA14
SCHEMBL1868156 0.89 PLA2G2A (0.33) CA12CA1CA2CA9CA14
SCHEMBL22693647 0.80 SLC29A1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL3136625 0.77 KMT2A (0.55) KMT2AKCNH3PLA2G2A
SCHEMBL1873021 0.77 KMT2A (0.55) KDM4EKMT2AMEN1GAAMCL1
SCHEMBL3264001 0.77 KMT2A (0.55) KMT2AKCNH3PLA2G2A
SCHEMBL721907 0.76 CA12 (0.51) CA12CA1CA2CA9CA14
SCHEMBL1870090 0.74 CA1 (0.35) CA12CA1CA2CA9CA14
SCHEMBL15402299 0.72 KMT2A (0.50) KMT2AKCNH3
SCHEMBL17089132 0.71 CA1 (0.45) CA12CA1CA2CA9CA14

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.