SCHEMBL2064927

SCHEMBL2064927

CC(C)Cc1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.46
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
PDK1 Q15118 1/20 0.40
CYP1A2 P05177 1/20 0.37
SNCA P37840 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
FAAH O00519 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL1665662 0.87 ALOX15 (0.43) FBP1ALOX15ALOX12PDK1CYP1A2
SCHEMBL1665912 0.84 ALOX15 (0.44) FBP1ALOX15ALOX12PDK1CYP1A2
SCHEMBL1665928 0.84 ALOX15 (0.44) FBP1ALOX15ALOX12PDK1CYP1A2
SCHEMBL1666374 0.84 ALOX15 (0.44) FBP1ALOX15ALOX12PDK1CYP1A2
SCHEMBL11807538 0.81 GABRA1 (0.47) FBP1ALOX15ALOX12PDK1CYP1A2
SCHEMBL3032856 0.81 CYP1A2 (0.57) FBP1ALOX15ALOX12CYP1A2MAPT
SCHEMBL10019205 0.81 TSHR (0.56) FBP1ALOX15ALOX12PDK1CYP1A2
SCHEMBL888140 0.81 CYP1A2 (0.40) ALOX15ALOX12PDK1CYP1A2SNCA
SCHEMBL10019199 0.80 TDP1 (0.49) FBP1ALOX15ALOX12PDK1CYP1A2
SCHEMBL13269178 0.78 ALDH5A1 (0.53) FBP1ALOX15ALOX12PDK1CYP1A2

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 11 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
CN-103588839-A Nucleotides and nucleosides and method for their use in DNA sequencing LASERGEN INC 2014-02-19 CN 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
CN-102264917-A NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING 2011-11-30 CN 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 FBP1 2874/4885ALOX15 3552/4885ALOX12 3207/4885
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing UNG, NT5C2, NT5E FBP1 2874/4885ALOX15 3552/4885ALOX12 3207/4885

“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.