SCHEMBL513737

SCHEMBL513737

O=[C]Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CASP7 P55210 1/20 0.56
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 7/20 0.50
GAA P10253 4/20 0.50
PKM P14618 1/20 0.50
KAT2B Q92831 2/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KCNMA1 Q12791 1/20 0.46
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
PHGDH O43175 1/20 0.45

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
SCHEMBL4867984 0.83 GPR35 (0.50) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL1270548 0.82 MAPK1 (0.55) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL7530232 0.82 TDP1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1MEN1
SCHEMBL7044096 0.81 ALDH1A1 (0.53) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL397773 0.79 MAPK1 (0.77) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL11122816 0.76 KAT2B (0.57) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL973213 0.75 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL12205174 0.75 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL373368 0.75 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL856759 0.75 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052690-A1 PCR PRIMER AND METHOD FOR REDUCING NON-SPECIFIC NUCLEIC ACID AMPLIFICATION USING A PHOTOLABILE PROTECTING GROUP SAMSUNG ELECTRONICS CO., LTD. (KR) 2013-02-28 US claimed
US-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US claimed
EP-2125718-B1 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-15 EP claimed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US claimed
EP-2125718-A2 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP claimed
WO-2008113760-A2 ARYLSULPHONYGLYCINE DERIVATIVES AS SUPPRESSORS OF THE INTERACTION OF GLYCOGEN PHOSPHORYLASE A WITH THE GL SUBUNIT OF GLYCOGEN-ASSOCIATED PROTEIN PHOSPHATASE 1 (PPL) FOR THE TREATMENT OF METABOLIC DISORDERS, PARTICULARY DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-25 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
US-20130310269-A1 HOT-START DIGITAL PCR SO AUSTIN (US) 2013-11-21 US disclosed
WO-2013166466-A1 HOT-START DIGITAL PCR BIO-RAD LABORATORIES, INC. (US) 2013-11-07 WO disclosed
EP-1008592-A2 Cyclic amide derivatives which inhibit cathepsin K Fujirebio Kabushiki Kaisha (JP) 2000-06-14 EP disclosed
EP-0888409-A1 DYE MIXTURES CONTAINING THIENYL AND/OR THIAZOLAZO DYES BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
WO-1997035926-A1 DYE MIXTURES CONTAINING THIENYL AND/OR THIAZOLAZO DYES BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
US-4895871-A Benzoheterocyclyl ketone hydrazone insecticides FMC CORPORATION (US) 1990-01-23 US disclosed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US disclosed
US-3974163-A VULCANIZATION INHIBITOR MONSANTO COMPANY (US) 1976-08-10 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 (2 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-20130052690-A1 PCR PRIMER AND METHOD FOR REDUCING NON-SPECIFIC NUCLEIC ACID AMPLIFICATION USING A PHOTOLABILE PROTECTING GROUP POLL, POLRMT, POLN MAPK1 3416/4885L3MBTL1 1459/4885ALDH1A1 1877/4885
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 MAPK1 1128/4885L3MBTL1 3679/4885ALDH1A1 1212/4885

“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.