SCHEMBL888171

SCHEMBL888171

CC(N)c1ccc(I)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
TSHR P16473 4/20 0.36
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
PARP1 P09874 1/20 0.36
TDP1 Q9NUW8 5/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
P2RY6 Q15077 1/20 0.34
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
SNCA P37840 1/20 0.33
VCAM1 P19320 1/20 0.33

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
SCHEMBL10177990 0.83 PDK1 (0.44) PDK1TSHRCYP3A4ALDH1A1PARP1
SCHEMBL888146 0.83 PDK1 (0.44) PDK1TSHRCYP3A4ALDH1A1PARP1
SCHEMBL2065622 0.83 PDK1 (0.44) PDK1TSHRCYP3A4ALDH1A1PARP1
SCHEMBL5497079 0.81 TDP1 (0.56) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL1514928 0.80 PDK1 (0.42) PDK1TSHRCYP3A4ALDH1A1PARP1
SCHEMBL1665434 0.80 PDK1 (0.42) PDK1TSHRCYP3A4ALDH1A1PARP1
SCHEMBL10178329 0.80 PDK1 (0.42) PDK1TSHRCYP3A4ALDH1A1PARP1
SCHEMBL890038 0.80 PDK1 (0.42) PDK1TSHRCYP3A4ALDH1A1PARP1
SCHEMBL5997474 0.79 LMNA (0.55) PDK1TSHRALDH1A1TDP1MAPT
SCHEMBL5997466 0.79 LMNA (0.55) PDK1TSHRALDH1A1TDP1MAPT

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-2125856-B1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2016-09-14 EP disclosed
US-8969535-B2 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-03-03 US disclosed
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2013-03-21 US disclosed
US-8361727-B2 3′OH-unblocked, nucleotides and nucleosides base modified with labels and photocleavable, terminating groups and methods for their use in DNA sequencing LASERGEN, INC. (US) 2013-01-29 US disclosed
US-20110287427-A1 3'OH-UNBLOCKED, NUCLEOTIDES AND NUCLEOSIDES BASE MODIFIED WITH LABELS AND PHOTOCLEAVABLE, TERMINATING GROUPS AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2011-11-24 US disclosed
US-7964352-B2 3′-OH unblocked nucleotides and nucleosides, base modified with labels and photocleavable, terminating groups and methods for their use in DNA sequencing LASERGEN, INC. (US) 2011-06-21 US disclosed
US-7897737-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-03-01 US disclosed
US-20090081686-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing AGILENT TECHNOLOGIES, INC. 2008-06-05 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-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing UNG, DCLRE1B, NT5C3B PDK1 4715/4885TSHR 4189/4885CYP3A4 2528/4885
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING UNG, NT5C3B, OGG1 PDK1 4640/4885TSHR 4099/4885CYP3A4 2627/4885

“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.