SCHEMBL57882

SCHEMBL57882

O=[N+]([O-])c1c[c]ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 9/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CES1 P23141 1/20 0.39
GPR35 Q9HC97 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CASP6 P55212 1/20 0.36
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2783828 0.85 TDP1 (0.48) TSHRCYP3A4TDP1MEN1KMT2A
SCHEMBL6800906 0.84 TDP1 (0.38) TSHRCYP3A4TDP1MEN1KMT2A
SCHEMBL1028967 0.82 TDP1 (0.50) TSHRCYP3A4TDP1MEN1KMT2A
SCHEMBL58127 0.82 HSD17B10 (0.54) TSHRCYP3A4TDP1ALDH1A1MAPT
SCHEMBL1028675 0.80 GPR35 (0.47) TSHRCYP3A4TDP1MEN1KMT2A
SCHEMBL247495 0.80 PARP1 (0.41) TSHRCYP3A4TDP1MEN1KMT2A
SCHEMBL710076 0.80 ALDH1A1 (0.47) TSHRCYP3A4TDP1MEN1KMT2A
SCHEMBL19859 0.80 VCAM1 (0.46) TSHRCYP3A4TDP1ALDH1A1GPR35
SCHEMBL5675005 0.80 TDP1 (0.35) TSHRCYP3A4TDP1MEN1KMT2A
SCHEMBL232839 0.80 TDP1 (0.39) TSHRCYP3A4TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193155-B2 Designer α 6-fucosidase mutants enable direct core fucosylation of intact N-glycopeptides and N-glycoproteins UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2021-12-07 US claimed
US-20190185898-A1 DESIGNER alpha 6-FUCOSIDASE MUTANTS ENABLE DIRECT CORE FUCOSYLATION OF INTACT N-GLYCOPEPTIDES AND N-GLYCOPROTEINS UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2019-06-20 US claimed
EP-3497229-A1 DESIGNER ALPHA 1,6-FUCOSIDASE MUTANTS ENABLE DIRECT CORE FUCOSYLATION OF INTACT N-GLYCOPEPTIDES AND N-GLYCOPROTEINS University of Maryland, College Park (US) 2019-06-19 EP claimed
CN-109715819-A Designer's α 1,6- fucoside enzyme mutant realizes the direct core fucosylation of complete N- glycopeptide and N- glycoprotein 马里兰大学帕克分校 2019-05-03 CN claimed
EP-2814831-B1 NEW QUATERNARY AMMONIUM SALTS, METHOD FOR PREPARATION AND APPLICATIONS THEREOF UNIV MEDYCZNY IM KAROLA MARCINKOWSKIEGO (PL) 2018-08-01 EP claimed
WO-2018031734-A1 DESIGNER α1,6-FUCOSIDASE MUTANTS ENABLE DIRECT CORE FUCOSYLATION OF INTACT N-GLYCOPEPTIDES AND N-GLYCOPROTEINS UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2018-02-15 WO claimed
US-9169267-B2 Quaternary ammonium salts, method for preparation and applications thereof UNIWERSYTET MEDYCZNY IM. KAROLA MARCINKOWSKIEGO (PL) 2015-10-27 US claimed
US-20150080583-A1 QUATERNARY AMMONIUM SALTS, METHOD FOR PREPARATION AND APPLICATIONS THEREOF UNIWERSYTET MEDYCZNY IM. KAROLA MARCINKOWSKIEGO (PL) 2015-03-19 US claimed
EP-2814831-A1 NEW QUATERNARY AMMONIUM SALTS, METHOD FOR PREPARATION AND APPLICATIONS THEREOF Uniwersytet Medyczny Im. Karola Marcinkowskiego (PL) 2014-12-24 EP claimed
CN-102388060-B Actagardine derivatives NOVACTA BIOSYSTEMS LTD 2014-09-10 CN claimed
WO-1998003475-A1 PESTICIDAL COMPOSITIONS NOVARTIS AG (CH) 1998-01-29 WO claimed
EP-0421774-B1 Process for production of optically active 2-(tetrahydropyran-2-yloxy)-1-propanol TAKASAGO PERFUMERY CO LTD (JP) 1994-06-15 EP claimed
US-5128489-A PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 2-(TETRAHYDROPYRAN-2-YLOXY)-1-PROPANOL TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-07-07 US claimed
EP-0421774-A2 Process for production of optically active 2-(tetrahydropyran-2-yloxy)-1-propanol Takasago International Corporation (JP) 1991-04-10 EP claimed
US-4818692-A COLORIMETRIC ANALYSIS WITH OLIGOSACCHARIDE BOEHRINGER MANNHEIM GMBH (DE) 1989-04-04 US claimed
US-4709020-A Heptaose compounds and preparation thereof BOEHRINGER MANNHEIM GMBH (DE) 1987-11-24 US claimed
US-4521430-A VASODILATOR, ANTIISCHEMIC AGENT TANABE SEIYAKU CO., LTD. (JP) 1985-06-04 US claimed
EP-0128462-A1 Novel benzothiazepine derivatives, processes for preparing the same and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1984-12-19 EP claimed
EP-0031708-B1 CEPHALOSPORIN DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND INTERMEDIATES THEREFOR ICI PHARMA (FR) 1984-06-13 EP claimed
EP-0031708-A2 Cephalosporin derivatives, processes for their manufacture, pharmaceutical compositions containing them and intermediates therefor ICI PHARMA (FR) 1981-07-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150080583-A1 QUATERNARY AMMONIUM SALTS, METHOD FOR PREPARATION AND APPLICATIONS THEREOF UFM1, UFL1, UBAP2L TSHR 3244/4885CYP3A4 1549/4885TDP1 2685/4885

“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.