SCHEMBL989828

SCHEMBL989828

CN(C)c1ccc(N=NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
TSHR P16473 3/20 0.66
MAPK1 P28482 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
HSD17B10 Q99714 2/20 0.66
F2 P00734 3/20 0.60
PRSS1 P07477 3/20 0.60
PRSS2 P07478 3/20 0.60
PRSS3 P35030 3/20 0.60
NPC1 O15118 7/20 0.59
KMT2A Q03164 6/20 0.59
RAB9A P51151 6/20 0.59
MEN1 O00255 5/20 0.59
POLB P06746 4/20 0.59
CA12 O43570 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
ALOX15 P16050 1/20 0.59
MYC P01106 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL14613041 0.85 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL11123288 0.82 S100A4 (0.57) ALDH1A1TDP1F2PRSS1PRSS2
SCHEMBL11123296 0.82 S100A4 (0.57) ALDH1A1TDP1F2PRSS1PRSS2
SCHEMBL11123293 0.82 S100A4 (0.57) ALDH1A1TDP1F2PRSS1PRSS2
Methyl Yellow SCHEMBL7720573 0.82 ALDH1A1 (0.78) ALDH1A1TSHRMAPK1TDP1HSD17B10
Dimethyl Yellow SCHEMBL7720567 0.82 ALDH1A1 (0.78) ALDH1A1TSHRMAPK1TDP1HSD17B10
Methyl Yellow SCHEMBL239712 0.81 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL8982830 0.81 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL10909165 0.81 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL8982839 0.81 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1TDP1HSD17B10

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-12 US claimed
WO-2011005821-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-13 WO claimed
US-7745614-B2 Universal linker compositions for the release or transfer of chemical agents from a polynucleotide THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-06-29 US claimed
US-20060199192-A1 Universal linker compositions for the release or transfer of chemical agents from a polynucleotide THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-09-07 US claimed
US-9422232-B2 Reductive release probes containing a chemoselectively cleavable α-azidoether linker and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-08-23 US disclosed
US-9416155-B2 Direct sensing of molecular species by polyfluors on a DNA backbone THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-08-16 US disclosed
US-20120309107-A1 Direct Sensing of Molecular Species by Polyfluors on a DNA Backbone THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2012-12-06 US disclosed
US-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-12 US disclosed
WO-2011097437-A1 DOUBLE DISPLACEMENT PROBES FOR NUCLEIC ACID DETECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-08-11 WO disclosed
WO-2011081939-A1 DIRECT SENSING OF MOLECULAR SPECIES BY POLYFLUORS ON A DNA BACKBONE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-07-07 WO disclosed
WO-2011005821-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-13 WO disclosed
US-7745614-B2 Universal linker compositions for the release or transfer of chemical agents from a polynucleotide THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-06-29 US disclosed
US-20060199192-A1 Universal linker compositions for the release or transfer of chemical agents from a polynucleotide THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2006-09-07 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-20120309107-A1 Direct Sensing of Molecular Species by Polyfluors on a DNA Backbone ERCC4, POLL, POLQ ALDH1A1 3769/4885TSHR 2544/4885MAPK1 4054/4885
US-20060199192-A1 Universal linker compositions for the release or transfer of chemical agents from a polynucleotide ADAR, POLRMT, RNGTT ALDH1A1 2876/4885TSHR 988/4885MAPK1 2218/4885
US-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF CPSF1, CPSF7, CPSF6 ALDH1A1 2568/4885TSHR 600/4885MAPK1 3593/4885

“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.