SCHEMBL15728355

SCHEMBL15728355

CCCCCC(=O)NCCNC(=O)c1cccc(OCC(N=[N+]=[N-])OCCOCC(=O)NCC#Cc2cn(C3CC(OCN=[N+]=[N-])C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)c(=O)[nH]c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ POLA1 P09884 1/20 0.37
▸ POLD1 P28340 1/20 0.37
▸ P2RY2 P41231 1/20 0.32
▸ P2RY6 Q15077 1/20 0.32
▸ TK1 P04183 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
SCHEMBL17066720 0.97 POLB (0.37) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL15799880 0.93 POLB (0.38) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL17636634 0.92 POLB (0.37) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL13891877 0.91 POLB (0.35) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL17227503 0.91 POLB (0.35) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL15799931 0.91 POLB (0.39) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL24548655 0.90 GIGYF2 (0.38) —
SCHEMBL27102628 0.89 POLB (0.39) POLBPOLA1POLD1P2RY2P2RY6
SCHEMBL20821470 0.89 POLB (0.34) POLBPOLA1POLD1TK1
SCHEMBL19569904 0.89 POLB (0.34) POLBPOLA1POLD1TK1

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-20170002408-A1 LABELLED NUCLEOTIDES SOLEXA LIMITED (GB) 2017-01-05 — — US disclosed
US-9410199-B2 Labelled nucleotides ILLUMINA CAMBRIDGE LIMITED (GB) 2016-08-09 — — US disclosed
US-20150344516-A1 LABELLED NUCLEOTIDES SOLEXA LIMITED (GB) 2015-12-03 — — US disclosed
US-20140141414-A1 LABELLED NUCLEOTIDES ILLUMINA CAMBRIDGE LIMITED (GB) 2014-05-22 — — 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-20170002408-A1 LABELLED NUCLEOTIDES NUDT1, DUT, NT5C2 POLB 80/4885POLA1 126/4885POLD1 208/4885
US-20150344516-A1 LABELLED NUCLEOTIDES NUDT1, DUT, NT5C2 POLB 80/4885POLA1 126/4885POLD1 208/4885

“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.

Send feedback