SCHEMBL608096

SCHEMBL608096

O=[N+]([O-])c1cc2c(cc1O)OCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
L3MBTL1 Q9Y468 4/20 0.62
POLB P06746 2/20 0.62
MCL1 Q07820 1/20 0.62
SRC P12931 1/20 0.55
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 6/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL30225775 0.89 MAPT (0.62) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL5164754 0.89 MAPT (0.62) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL718255 0.86 MAPT (0.74) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL29042545 0.79 MEN1 (0.56) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL9471765 0.78 MAPT (0.65) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL9471773 0.78 MAPT (0.65) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL669313 0.78 MAPT (0.59) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL1861532 0.78 CDK2 (0.41) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL423560 0.78 CTSB (0.53) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL789918 0.77 MAPT (0.62) MAPTKMT2AMEN1L3MBTL1POLB

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-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 US claimed
US-8198317-B2 Methylenedioxy phenolic compounds and their use to treat disease THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-12 US claimed
EP-2324005-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE The Ohio State University Research Foundation (US) 2011-05-25 EP claimed
WO-2010017323-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 WO claimed
US-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-11 US claimed
JP-59084892-A None JP disclosed
JP-59196897-A None JP disclosed
JP-59227890-A None JP disclosed
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 US disclosed
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 US disclosed
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE INVASC THERAPEUTICS, INC. (US) 2013-06-20 US disclosed
EP-1015437-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-07-05 EP disclosed
WO-1999012915-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-18 WO disclosed
US-4865617-A Dyeing compositions for keratinous fibres, especially for human hair, containing oxidation dye precursors and heterocyclic couplers L'OREAL (FR) 1989-09-12 US disclosed
US-4522942-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-06-11 US disclosed
JP-S59227890-A THIONOPHOSPHORAMIDE DERIVATIVE, ITS PRODUCTION AND PLANT BLIGHT CONTROLLING AGENT CONTAINING THE SAME AS ACTIVE CONSTITUENT SUMITOMO CHEM CO LTD 1984-12-21 JP disclosed
JP-S59196897-A THIONOPHOSPHONIC ACID AMIDE DERIVATIVE, ITS PREPARATION, AND INSECTICIDE FOR PLANT BLIGHT CONTAINING IT AS ACTIVE INGREDIENT SUMITOMO CHEM CO LTD 1984-11-08 JP disclosed
JP-S5984892-A THIONOPHOSPHORIC ACID AMIDE DERIVATIVE, ITS PREPARATION AND PLANT BLIGHT CONTROLLING AGENT CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT SUMITOMO CHEM CO LTD 1984-05-16 JP disclosed
EP-0096993-A2 Phosphoramidothionate, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-12-28 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 (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-20100035849-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, ALOX12 MAPT 1166/4885KMT2A 1399/4885MEN1 2849/4885
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 MAPT 4855/4885KMT2A 3843/4885MEN1 4620/4885
US-20130157986-A1 NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE REN, PCSK9, COMT MAPT 701/4885KMT2A 1673/4885MEN1 2495/4885

“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.