Sugi Predict

Sugi Predict / Compounds / SCHEMBL950729

SCHEMBL950729

SCHEMBL950729

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ CASP7 P55210 1/20 0.60
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ MAPT P10636 7/20 0.53
▸ GAA P10253 3/20 0.53
▸ PKM P14618 1/20 0.53
▸ KAT2B Q92831 2/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KCNMA1 Q12791 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ PHGDH O43175 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
SCHEMBL397773 0.82 MAPK1 (0.77) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL7568232 0.82 GPR35 (0.53) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL513738 0.79 MAPK1 (0.56) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL355102 0.78 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL973213 0.78 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL856759 0.78 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL373368 0.78 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL4793372 0.78 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL297021 0.78 MAPK1 (0.60) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL12205174 0.78 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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114106341-A Comb copolymer and preparation method and application thereof 广州立邦涂料有限公司 2022-03-01 — — CN claimed
US-20140309111-A1 Ternary Herbicidal Compositions Comprising Aminopyralid and Imazamox BASF SE (DE) 2014-10-16 — — US claimed
EP-0513849-B1 Method of preparing transgenic Zea mays plants regenerated from protoplasts or protoplast-derived cells CIBA GEIGY AG (CH) 1998-08-19 — — EP claimed
EP-0846771-A1 Zea mays plants and transgenic zea mays plants regenerated from protoplasts or protoplast-derived cells Novartis AG (CH) 1998-06-10 — — EP claimed
US-20220386601-A1 Early Applications of Encapsulated Acetamides for Reduced Injury in Crops MONSANTO TECHNOLOGY LLC 2022-12-08 — — US disclosed
CN-110694641-B Method for preparing catalyst for nitro reduction and application 西安凯立新材料股份有限公司 2022-08-16 — — CN disclosed
CN-110694641-B Method for preparing catalyst for nitro reduction and application 西安凯立新材料股份有限公司 2022-08-16 — — CN disclosed
US-11206830-B2 Herbicidal composition comprising glufosinate or a salt thereof and pyroxasulfone BASF SE (DE) 2021-12-28 — — US disclosed
CN-110694641-A Method for preparing catalyst for nitro reduction and application 西安凯立新材料股份有限公司 2020-01-17 — — CN disclosed
CN-110694641-A Method for preparing catalyst for nitro reduction and application 西安凯立新材料股份有限公司 2020-01-17 — — CN disclosed
US-20180338491-A1 Early Applications of Encapsulated Acetamides for Reduced Injury in Crops MONSANTO TECHNOLOGY LLC (US) 2018-11-29 — — US disclosed
US-9999223-B2 Herbicidal composition comprising glyphosate, glufosinate or their salts BASF SE (DE) 2018-06-19 — — US disclosed
EP-0345550-A2 High molecular weight arylene sulphide polymers BAYER AG (DE) 1989-12-13 — — EP disclosed
EP-0292435-A1 Zea mays plants and transgenic zea mays plants regenerated from protoplasts or protoplast-derived cells CIBA-GEIGY AG (CH) 1988-11-23 — — EP disclosed
US-4359594-A BY REACTING VINYL CYCLOHEXENE AND NITRO COMPOUND USING A HYDROGEN TRANSFER CATALYST TEXACO INC. (US) 1982-11-16 — — US disclosed
US-4339622-A FROM VINYLCYCLOHEXENE, COPPER CHROMITE CATALYST TEXACO, INC. (US) 1982-07-13 — — US disclosed
US-4322556-A Method for preparing aniline by reaction of nitrobenzene and vinylcyclohexene TEXACO INC. (US) 1982-03-30 — — US disclosed
US-4237070-A CATALYST OF NOBLE METAL AND GROUP 1B OXIDE ON SUPPORT TEXACO INC. (US) 1980-12-02 — — US disclosed
US-4233244-A AN ACETYLACETONATE OF A GROUP 8 METAL TEXACO INC. (US) 1980-11-11 — — US disclosed
US-4163761-A COPPER CHROMITE, HYDROGEN TRANSFER CATALYST TEXACO INC. (US) 1979-08-07 — — 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 (4 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-20220386601-A1 Early Applications of Encapsulated Acetamides for Reduced Injury in Crops FAAH2, ACAA2, AADAC MAPK1 4839/4885L3MBTL1 2207/4885ALDH1A1 451/4885
US-20180338491-A1 Early Applications of Encapsulated Acetamides for Reduced Injury in Crops FAAH2, ACAA2, AADAC MAPK1 4839/4885L3MBTL1 2207/4885ALDH1A1 451/4885
US-11206830-B2 Herbicidal composition comprising glufosinate or a salt thereof and pyroxasulfone FPGS, PAOX, PFAS MAPK1 1616/4885L3MBTL1 1795/4885ALDH1A1 799/4885
US-20140309111-A1 Ternary Herbicidal Compositions Comprising Aminopyralid and Imazamox DDT, CYP2B6, CYP2D6 MAPK1 4394/4885L3MBTL1 3097/4885ALDH1A1 1480/4885

“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.