SCHEMBL514833

SCHEMBL514833

O=[N+]([O-])c1cccc([N+](=O)[O-])c1CO

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.58
TDP1 Q9NUW8 4/20 0.54
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
ERN1 O75460 1/20 0.46
S100A4 P26447 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSD P07339 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 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
SCHEMBL5622028 0.88 ALDH1A1 (0.53) GPR35TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL8399481 0.88 GPR35 (0.58) GPR35TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL1374438 0.86 GPR35 (0.48) GPR35TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL14253715 0.86 GPR35 (0.48) GPR35TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL27957668 0.86 GPR35 (0.48) GPR35TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL25249470 0.86 GPR35 (0.48) GPR35TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL3961070 0.86 TSHR (0.58) GPR35TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL1372574 0.86 GPR35 (0.48) GPR35TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL17146169 0.86 GPR35 (0.48) GPR35TDP1TSHRALDH1A1SMN1; SMN2
SCHEMBL5681342 0.86 ALDH1A1 (0.51) GPR35TDP1TSHRALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849196-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2017-12-26 US disclosed
US-9631096-B2 Dye compositions, methods of preparation, conjugates thereof, and methods of use CORNELL UNIVERSITY (US) 2017-04-25 US disclosed
US-20150328340-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2015-11-19 US disclosed
US-9181224-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2015-11-10 US disclosed
US-8945515-B2 Methods and compositions for altering photophysical properties of fluorophores via proximal quenching CORNELL UNIVERSITY (US) 2015-02-03 US disclosed
US-20150011731-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2015-01-08 US disclosed
WO-2013109859-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2013-07-25 WO disclosed
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing AGILENT TECHNOLOGIES, INC. 2013-02-07 US disclosed
EP-1865379-B1 Method for resist pattern formation, and process for device prodution CANON KK (JP) 2013-01-16 EP disclosed
US-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING CORNELL UNIVERSITY (US) 2012-02-02 US disclosed
EP-0585980-A2 Radiation sensitive materials and devices made therewith AT&T Corp. (US) 1994-03-09 EP disclosed
EP-0579420-A2 Negative working resist material and pattern forming process WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1994-01-19 EP disclosed
EP-0542485-A1 Radiation curable compositions Dow Corning Limited (GB) 1993-05-19 EP disclosed
US-5200544-A Acid generator, acid sensitive polymer; photosensitivity AT&T BELL LABORATORIES (US) 1993-04-06 US disclosed
EP-0520642-A1 Resist material and pattern formation process WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1992-12-30 EP disclosed
US-5135838-A Resin sensitive to UV radiation and a nitrobenzyl compound that generates an acid AT&T BELL LABORATORIES (US) 1992-08-04 US disclosed
EP-0440374-A2 Chemical amplified resist material WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1991-08-07 EP disclosed
US-4996136-A Radiation sensitive materials and devices made therewith AT&T BELL LABORATORIES (US) 1991-02-26 US disclosed
EP-0330386-A2 Radiation sensitive materials and devices made therewith AT&T Corp. (US) 1989-08-30 EP disclosed
US-4430114-A PREEMERGENCE, 5-//1-ETHYLPROPYL/AMINO/-4,6-DINITRO-O-TOLYLACETONITRILE AMERICAN CYANAMID COMPANY (US) 1984-02-07 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 (3 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-20120027689-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERITES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, PPOX, PRDX5 GPR35 3634/4885TDP1 753/4885TSHR 4483/4885
US-20150328340-A1 METHODS AND COMPOSITIONS FOR ALTERING PHOTOPHYSICAL PROPERTIES OF FLUOROPHORES VIA PROXIMAL QUENCHING APEX1, ARFGEF1, PRDX3 GPR35 3541/4885TDP1 409/4885TSHR 4051/4885
US-20130035237-A1 Nucleotides and Nucleosides and Methods for their Use in DNA Sequencing UNG, NT5C2, NT5E GPR35 3104/4885TDP1 81/4885TSHR 4231/4885

“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.