SCHEMBL19732599

SCHEMBL19732599

NCCCNCCCC(NCCCN)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA4 P22748 3/20 0.43
CA6 P23280 3/20 0.43
CA5A P35218 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA5B Q9Y2D0 3/20 0.43
CASP2 P42575 2/20 0.43
F13A1 P00488 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
THPO P40225 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PAOX Q6QHF9 1/20 0.42

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
SCHEMBL12304829 0.87 PAOX (0.49) CA12CA2CA4CA6CA5A
SCHEMBL8058862 0.85 GGT1 (0.50) CA12CA2CA4CA6CA5A
SCHEMBL1648752 0.85 SIRT6 (0.43) CA12CA2CA4CA6CA5A
SCHEMBL12085468 0.82 SIRT6 (0.42) CA12CA2CA4CA6CA5A
SCHEMBL29492651 0.82 MAOA (0.42) CA12CA2CA4CA6CA5A
SCHEMBL12951159 0.82 SIRT6 (0.46)
SCHEMBL13433789 0.82 PAOX (0.44) CA12CA2CA4CA6CA5A
SCHEMBL12085570 0.81 SIRT6 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL12085569 0.81 GRIN1 (0.46)
SCHEMBL13461187 0.81 PAOX (0.42) CA12CA2CA4CA6CA5A

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-10434186-B2 Functionalized linear ligands and complexes thereof LUMIPHORE, INC. (US) 2019-10-08 US disclosed
US-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. 2017-12-21 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 (2 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-20170360956-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF CLTB, CLTA, EPCAM CA12 211/4885CA2 4528/4885CA4 2305/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM CA12 211/4885CA2 4528/4885CA4 2305/4885

“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.