SCHEMBL3134949

SCHEMBL3134949

O=C1C(O)=C([N+](=O)[O-])C(=O)C(O)=C1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
ATM Q13315 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 2/20 0.37
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37
BLM P54132 1/20 0.37
HPGD P15428 2/20 0.37
HIF1A Q16665 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL11765286 0.78 MEN1 (0.62) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL3314376 0.69 MEN1 (0.38) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL28102662 0.65 TP53 (0.32) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL28087322 0.65 S100A4 (0.33) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL28087313 0.65 TP53 (0.32) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL28087236 0.65 S100A4 (0.33) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL28087232 0.65 ALDH1A1 (0.37) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL28087314 0.65 ALDH1A1 (0.44) MEN1KMT2APOLBCACNA1BAPBA1
SCHEMBL28087248 0.63 CYP1A2 (0.31) ALDH1A1CYP1A2
SCHEMBL28087317 0.63 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278161-B Preparation method of MOFs (metal-organic frameworks) required by graphene modified flame-retardant waterborne polyurethane coating 烟台大学 2022-06-07 CN claimed
CN-113278161-A Preparation method of MOFs (metal-organic frameworks) required by graphene modified flame-retardant waterborne polyurethane coating 烟台大学 2021-08-20 CN claimed
CN-111117467-B Preparation method of graphene modified flame-retardant waterborne polyurethane coating 烟台大学 2021-07-09 CN claimed
CN-111117467-A Preparation method of graphene modified flame-retardant waterborne polyurethane coating and adhesive 烟台大学 2020-05-08 CN claimed
EP-2105050-A1 Method of controlling zoological and aquatic plant growth Garnett, Inc. (US) 2009-09-30 EP claimed
US-7348363-B2 Method of controlling zoological and aquatic plant growth GARNETT, INC. (US) 2008-03-25 US claimed
US-20060003894-A1 Method of controlling zoological and aquatic plant growth CUTLER HORACE G 2006-01-05 US claimed
EP-1261254-A4 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH GARNETT INC (US) 2005-11-23 EP claimed
US-20030012804-A1 Aquacide and use AQUACIDE AND USE 2003-01-16 US claimed
EP-1261254-A2 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH Garnett, Inc. (US) 2002-12-04 EP claimed
US-20020098979-A1 Method of controlling zoological and aquatic plant growth CUTLER STEPHEN J (US) 2002-07-25 US claimed
WO-2001060971-A2 METHOD OF CONTROLLING ZOOLOGICAL AND AQUATIC PLANT GROWTH GARNETT, INC. (US) 2001-08-23 WO claimed
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 WO claimed
EP-0272728-B1 PROCESS FOR THE PREPARATION OF POLYMERS OF C0 AND OLEFINICALLY UNSATURATED COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-04-07 EP claimed
CN-119661451-A Organic molecular positive electrode material and preparation method and application thereof 燕山大学 2025-03-21 CN disclosed
CN-113278161-B Preparation method of MOFs (metal-organic frameworks) required by graphene modified flame-retardant waterborne polyurethane coating 烟台大学 2022-06-07 CN disclosed
CN-113278161-A Preparation method of MOFs (metal-organic frameworks) required by graphene modified flame-retardant waterborne polyurethane coating 烟台大学 2021-08-20 CN disclosed
EP-0239145-A2 Catalyst compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-09-30 EP disclosed
EP-0235865-A2 Catalyst compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-09-09 EP disclosed
EP-0229408-A1 Novel catalyst compositions and process for the copolymerization of ethene with carbon monoxide SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-07-22 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-20030012804-A1 Aquacide and use ANTXR2, CYP4A22, NQO2 MEN1 3405/4885KMT2A 4437/4885POLB 3272/4885
US-20020098979-A1 Method of controlling zoological and aquatic plant growth ANTXR2, NQO2, CYP4A22 MEN1 3909/4885KMT2A 4204/4885POLB 2806/4885
US-20060003894-A1 Method of controlling zoological and aquatic plant growth ANTXR2, NQO2, CYP4A22 MEN1 3909/4885KMT2A 4204/4885POLB 2806/4885

“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.