SCHEMBL1665490

SCHEMBL1665490

CC(C)C(O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
GPR35 Q9HC97 2/20 0.50
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.45
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.41
S100A4 P26447 2/20 0.41
PTPRC P08575 1/20 0.41
ERN1 O75460 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1666039 1.00 TDP1 (0.50) TDP1GPR35TSHRSMN1; SMN2GLA
SCHEMBL8911863 0.84 TDP1 (0.54) TDP1GPR35TSHRSMN1; SMN2GLA
SCHEMBL16225016 0.79 TDP1 (0.58) TDP1GPR35TSHRSMN1; SMN2GLA
SCHEMBL10178321 0.79 ALDH1A1 (0.54) TDP1GPR35TSHRSMN1; SMN2GLA
SCHEMBL888327 0.79 ALDH1A1 (0.54) TDP1GPR35TSHRSMN1; SMN2GLA
SCHEMBL1666369 0.79 ALDH1A1 (0.54) TDP1GPR35TSHRSMN1; SMN2GLA
SCHEMBL16268435 0.79 TDP1 (0.48) TDP1GPR35TSHRSMN1; SMN2GLA
SCHEMBL4946630 0.78 GPR35 (0.55) TDP1GPR35TSHRSMN1; SMN2GLA
SCHEMBL14028230 0.78 GPR35 (0.55) TDP1GPR35TSHRSMN1; SMN2GLA
SCHEMBL18138439 0.78 TDP1 (0.56) TDP1GPR35TSHRSMN1; SMN2GLA

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10041115-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2018-08-07 US disclosed
EP-2307565-B1 REVERSIBLE NUCLEOSIDES AND NUCLEOTIDES TERMINATORS AND THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2017-11-29 EP disclosed
US-20170327886-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2017-11-16 US disclosed
US-9689035-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2017-06-27 US disclosed
CN-103588839-B Nucleotides and nucleosides and method for their use in DNA sequencing 激光基因公司 2017-04-12 CN disclosed
US-20160369336-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2016-12-22 US disclosed
US-9399798-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing LASERGEN, INC. (US) 2016-07-26 US disclosed
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
US-9200319-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2015-12-01 US disclosed
US-20150176074-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2015-06-25 US disclosed
US-20130122489-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING AGILENT TECHNOLOGIES, INC. 2013-05-16 US disclosed
WO-2013040257-A1 5-METHOXY. 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING LASERGEN, INC. (US) 2013-03-21 WO disclosed
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing AGILENT TECHNOLOGIES, INC. 2013-02-07 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-8148503-B2 Nucleotides and nucleosides and methods for their use in DNA sequencing LASERGEN, INC. (US) 2012-04-03 US disclosed
EP-2307565-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2011-04-13 EP disclosed
US-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2010-02-18 US disclosed
US-20100041041-A1 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2010-02-18 US disclosed
WO-2009152353-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2009-12-17 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 (7 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 TDP1 81/4885GPR35 3104/4885TSHR 4231/4885
US-20150176074-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 TDP1 154/4885GPR35 3197/4885TSHR 2303/4885
US-10041115-B2 3′-OH unblocked, fast photocleavable terminating nucleotides and methods for nucleic acid sequencing RNGTT, NT5C3B, NSUN2 TDP1 157/4885GPR35 3199/4885TSHR 2333/4885
US-20170327886-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 TDP1 154/4885GPR35 3197/4885TSHR 2303/4885
US-20160369336-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 TDP1 154/4885GPR35 3197/4885TSHR 2303/4885
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing UNG, NT5C2, NT5E TDP1 81/4885GPR35 3104/4885TSHR 4231/4885
US-20130122489-A1 3'-OH UNBLOCKED, FAST PHOTOCLEAVABLE TERMINATING NUCLEOTIDES AND METHODS FOR NUCLEIC ACID SEQUENCING RNGTT, NT5C3B, NSUN2 TDP1 154/4885GPR35 3197/4885TSHR 2303/4885

“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.