SCHEMBL2065622

SCHEMBL2065622

C[C@H](O)c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.44
ALOX15 P16050 2/20 0.36
PARP1 P09874 1/20 0.36
ALOX12 P18054 1/20 0.36
VCAM1 P19320 1/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
GPR35 Q9HC97 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HCAR3 P49019 1/20 0.35
SRC P12931 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CES2 O00748 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL888146 1.00 PDK1 (0.44) PDK1ALOX15PARP1ALOX12VCAM1
SCHEMBL10177990 1.00 PDK1 (0.44) PDK1ALOX15PARP1ALOX12VCAM1
SCHEMBL1665434 0.87 PDK1 (0.42) PDK1ALOX15PARP1ALOX12CYP3A4
SCHEMBL890038 0.87 PDK1 (0.42) PDK1ALOX15PARP1ALOX12CYP3A4
SCHEMBL1514928 0.87 PDK1 (0.42) PDK1ALOX15PARP1ALOX12CYP3A4
SCHEMBL10178329 0.87 PDK1 (0.42) PDK1ALOX15PARP1ALOX12CYP3A4
SCHEMBL13475347 0.84 PDK1 (0.39) PDK1ALOX15PARP1CYP3A4TSHR
SCHEMBL19647643 0.83 PDK1 (0.40) PDK1ALOX15ALOX12HTTMAPT
SCHEMBL15483785 0.83 PDK1 (0.40) PDK1ALOX15ALOX12HTTMAPT
SCHEMBL15483722 0.83 PDK1 (0.40) PDK1ALOX15ALOX12HTTMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307565-B1 REVERSIBLE NUCLEOSIDES AND NUCLEOTIDES TERMINATORS AND THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2017-11-29 EP disclosed
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
US-20150140559-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2015-05-21 US disclosed
US-8877905-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2014-11-04 US disclosed
US-20140051848-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2014-02-20 US disclosed
US-8497360-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-07-30 US disclosed
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing AGILENT TECHNOLOGIES, INC. 2013-02-07 US disclosed
US-8148503-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2012-04-03 US disclosed
US-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2010-02-18 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-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING UNG, NT5C2, NT5E PDK1 4582/4885ALOX15 3552/4885PARP1 153/4885
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing UNG, NT5C2, NT5E PDK1 4582/4885ALOX15 3552/4885PARP1 153/4885

“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.