Sugi Predict

Sugi Predict / Compounds / SCHEMBL2767547

SCHEMBL2767547

SCHEMBL2767547

CCc1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.60
▸ TDP1 Q9NUW8 4/20 0.60
▸ ALDH1A1 P00352 6/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ RECQL P46063 1/20 0.56
▸ ALOX15 P16050 2/20 0.55
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ POLB P06746 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ PDE7A Q13946 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDK1 Q15118 1/20 0.41

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
SCHEMBL2765848 1.00 TSHR (0.60) TSHRTDP1ALDH1A1CYP3A4RECQL
Bromide SCHEMBL27940668 0.98 TSHR (0.58) TSHRTDP1ALDH1A1CYP3A4RECQL
Bromide SCHEMBL12983645 0.98 TSHR (0.58) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL358991 0.85 ALDH1A1 (0.61) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL2766494 0.83 TDP1 (0.58) TSHRTDP1ALDH1A1CYP3A4RECQL
Hydrochloric Acid SCHEMBL28234289 0.83 ALDH1A1 (0.59) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL2768561 0.83 TDP1 (0.58) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL863341 0.82 TDP1 (0.53) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL9815417 0.80 TSHR (0.55) TSHRTDP1ALDH1A1CYP3A4RECQL
SCHEMBL23861124 0.80 TSHR (0.50) TSHRTDP1ALDH1A1CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9832880-B2 Electronic apparatus and method for manufacturing the same Innolux Corporation (TW) 2017-11-28 — — US disclosed
US-20170145047-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS NIMBLEGEN SYSTEMS GMBH (DE) 2017-05-25 — — US disclosed
US-20160060286-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS NIMBLEGEN SYSTEMS GMBH (DE) 2016-03-03 — — US disclosed
EP-2694525-B1 DIARYLSULPHID BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS ROCHE DIAGNOSTICS GMBH (DE) 2015-07-08 — — EP disclosed
US-20140362545-A1 ELECTRONIC APPARATUS AND METHOD FOR MANUFACTURING THE SAME Innolux Corporation (TW) 2014-12-11 — — US disclosed
US-20140362545-A1 ELECTRONIC APPARATUS AND METHOD FOR MANUFACTURING THE SAME Innolux Corporation (TW) 2014-12-11 — — US disclosed
US-8734534-B2 Azo dyes KEMIRA OYJ (FI) 2014-05-27 — — US disclosed
US-8734534-B2 Azo dyes KEMIRA OYJ (FI) 2014-05-27 — — US disclosed
US-20140051605-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS NIMBLEGEN SYSTEMS GMBH (DE) 2014-02-20 — — US disclosed
US-20130255007-A1 AZO DYES CHROMASCAPE, LLC 2013-10-03 — — US disclosed
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2004-09-09 — — US disclosed
WO-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 — — WO disclosed
US-6750335-B2 NUCLEOSIDE FOR USE IN THE GENERATION OF PREFERENTIAL OLIGONUCEOTIDES NIGU CHEMIE GMBH (DE) 2004-06-15 — — US disclosed
EP-1224198-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2003-04-23 — — EP disclosed
US-20020146737-A1 Nucleoside derivatives with photolabile protective groups NIGU CHEMIE GMBH (DE) 2002-10-10 — — US disclosed
EP-1224198-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2002-07-24 — — EP disclosed
WO-2001032671-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2001-05-10 — — WO disclosed
EP-0738764-B1 Tetrakisazo compounds, their preparation and their use as dyestuffs CLARIANT GMBH (DE) 1998-09-16 — — EP disclosed
US-5668260-A Tetrakisazo Compounds, the method of preparation thereof and the process of pyeing HOECHT AKTIENGE SELLSCHAFT (DE) 1997-09-16 — — US disclosed
EP-0738764-A1 Tetrakisazo compounds, their preparation and their use as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-23 — — EP 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-20160060286-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS CRY2, PRXL2A, MGMT TSHR 4775/4885TDP1 3337/4885ALDH1A1 1217/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B TSHR 3296/4885TDP1 183/4885ALDH1A1 909/4885
US-20020146737-A1 Nucleoside derivatives with photolabile protective groups XRN2, XPA, NSUN2 TSHR 1680/4885TDP1 91/4885ALDH1A1 1966/4885
US-20170145047-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS CRY2, PRXL2A, MGMT TSHR 4775/4885TDP1 3337/4885ALDH1A1 1217/4885
US-20140051605-A1 DIARYLSULFIDE BACKBONE CONTAINING PHOTOLABILE PROTECTING GROUPS CRY2, PRXL2A, MGMT TSHR 4775/4885TDP1 3337/4885ALDH1A1 1217/4885

“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.