SCHEMBL888136

SCHEMBL888136

O=C(O)OCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.47
MAOB P27338 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL888134 1.00 ALDH1A1 (0.51) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL888133 0.88 ALDH1A1 (0.53) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL5682398 0.85 ALDH1A1 (0.54) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL888155 0.85 ALDH1A1 (0.50) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL7421292 0.85 MAOB (0.52) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL602067 0.85 MAOB (0.55) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL602068 0.85 MAOB (0.55) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL4314662 0.83 ALDH1A1 (0.54) ALDH1A1TSHRMAOBL3MBTL1NPC1
SCHEMBL27876784 0.83 KMT2A (0.48) ALDH1A1TSHRHPGDMAOBL3MBTL1
SCHEMBL18919691 0.81 ALDH1A1 (0.50) ALDH1A1TSHRHPGDMAOBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130095471-A1 3'-OH UNBLOCKED NUCLEOTIDES AND NUCLEOSIDES BASE MDIFIED WITH NON-CLEAVABLE, TERMINATING GROUPS AND METHODS FOR THEIR USE IN DNA SEQUENCING WU WEIDONG (US) 2013-04-18 US claimed
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2013-03-21 US claimed
EP-2125856-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2009-12-02 EP claimed
US-20090081686-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING AGILENT TECHNOLOGIES, INC. 2009-03-26 US claimed
WO-2008070749-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2008-06-12 WO claimed
US-20080132692-A1 Photocleavable labeled nucleotides and nucleosides and methods for their use in DNA sequencing AGILENT TECHNOLOGIES, INC. 2008-06-05 US claimed
US-20080131952-A1 Labeled nucleotides and nucleosides and methods for their use in DNA sequencing AGILENT TECHNOLOGIES, INC. 2008-06-05 US claimed
US-20230374586-A1 DETECTING AN ANALYTE IN A SAMPLE 454 CORPORATION (US) 2023-11-23 US disclosed
US-20230365612-A1 COMPOUND INCLUDING A HETEROATOM AND NUCLEOBASE 454 CORPORATION (US) 2023-11-16 US disclosed
US-20230366019-A1 NUCLEIC ACID SEQUENCING USING EVANESCENT WAVE IMAGING 454 CORPORATION (US) 2023-11-16 US disclosed
US-20230366026-A1 PROCESSOR, COMPUTER READABLE MEDIUM AND/OR SOFTWARE FOR IDENTIFYING PROTECTED NUCLEOTIDES INCORPORATED IN SEQUENCING PRIMERS 454 CORPORATION (US) 2023-11-16 US disclosed
US-20230364618-A1 IMAGING DEVICE WITH LIGHT SOURCE AND IMAGE SENSOR 454 CORPORATION (US) 2023-11-16 US disclosed
US-20230366822-A1 PREPARING A SAMPLE FOR EVANESCENT WAVE IMAGING 454 CORPORATION (US) 2023-11-16 US disclosed
US-7897737-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-03-01 US disclosed
US-7893227-B2 Polymorphic identification; fluorescent dyes LASERGEN, INC. (US) 2011-02-22 US disclosed
EP-2125856-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2009-12-02 EP 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
WO-2008070749-A2 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2008-06-12 WO 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
US-20080131952-A1 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 (5 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 ALDH1A1 3957/4885TSHR 4189/4885HPGD 1236/4885
US-20230365612-A1 COMPOUND INCLUDING A HETEROATOM AND NUCLEOBASE NPM1, MCM3, H1-3 ALDH1A1 4146/4885TSHR 1893/4885HPGD 2640/4885
US-20130095471-A1 3'-OH UNBLOCKED NUCLEOTIDES AND NUCLEOSIDES BASE MDIFIED WITH NON-CLEAVABLE, TERMINATING GROUPS AND METHODS FOR THEIR USE IN DNA SEQUENCING NT5C3B, UNG, OGG1 ALDH1A1 1593/4885TSHR 4645/4885HPGD 719/4885
US-20130072388-A1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN IN DNA SEQUENCING UNG, NT5C3B, OGG1 ALDH1A1 3625/4885TSHR 4099/4885HPGD 1138/4885
US-20080131952-A1 Labeled nucleotides and nucleosides and methods for their use in DNA sequencing OGG1, NT5C3B, UNG ALDH1A1 3025/4885TSHR 4076/4885HPGD 877/4885

“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.