SCHEMBL17872144

SCHEMBL17872144

N#CCCNCCCCNC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
PAOX Q6QHF9 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAPT P10636 1/20 0.33
PRMT1 Q99873 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL25350443 0.98 PAOX (0.37) CA3CA5ACA5BPAOXCA12
SCHEMBL25358087 0.98 PAOX (0.37) CA3CA5ACA5BPAOXCA12
SCHEMBL16280462 0.92 PAOX (0.38) CA3CA5ACA5BPAOXCA12
SCHEMBL6825158 0.85 EPHX2 (0.37) PRMT1KDM4EMAPK1HIF1AMEN1
SCHEMBL11082957 0.83 ALDH1A1 (0.40) PRMT1KDM4EMAPK1HIF1AMEN1
SCHEMBL1519900 0.83
SCHEMBL462879 0.83
SCHEMBL23069642 0.82 CA12 (0.50) CA3CA5ACA5BPAOXCA12
Hydrochloric Acid SCHEMBL11445365 0.82 ALDH1A1 (0.39) PRMT1KDM4EMAPK1HIF1AMEN1
SCHEMBL25351644 0.81 CA12 (0.35) CA3CA5ACA5BPAOXCA12

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-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
EP-3237429-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF Lumiphore, Inc. (US) 2017-11-01 EP disclosed
WO-2016106241-A1 FUNCTIONALIZED LINEAR LIGANDS AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2016-06-30 WO 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 CA3 3299/4885CA5A 934/4885CA5B 723/4885
US-10434186-B2 Functionalized linear ligands and complexes thereof CLTB, CLTA, EPCAM CA3 3299/4885CA5A 934/4885CA5B 723/4885

“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.