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Sugi Predict / Compounds / SCHEMBL6136622

SCHEMBL6136622

SCHEMBL6136622

O=[N+]([O-])c1cccc(Oc2cccc([N+](=O)[O-])c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TDP1 Q9NUW8 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ HSPB1 P04792 2/20 0.47
▸ ESR2 Q92731 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ S100A4 P26447 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTT P42858 1/20 0.41

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
SCHEMBL6136134 0.87 TDP1 (0.51) GPR35TSHRL3MBTL1HPGDTDP1
SCHEMBL943078 0.87 L3MBTL1 (0.47) GPR35TSHRL3MBTL1HPGDTDP1
SCHEMBL29603881 0.86 TDP1 (0.71) GPR35TSHRL3MBTL1TDP1ALDH1A1
SCHEMBL1161927 0.86 TDP1 (0.71) GPR35TSHRL3MBTL1TDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL27735242 0.84 TSHR (0.68) GPR35TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL9332762 0.84 GPR35 (0.53) GPR35TSHRL3MBTL1HPGDTDP1
SCHEMBL6558521 0.84 GPR35 (0.53) GPR35TSHRL3MBTL1HPGDTDP1
SCHEMBL11111392 0.84 ALDH1A1 (0.53) GPR35TSHRL3MBTL1HPGDTDP1
SCHEMBL6964418 0.84 GPR35 (0.53) GPR35TSHRL3MBTL1HPGDTDP1
SCHEMBL28220465 0.84 GPR35 (0.58) GPR35TSHRL3MBTL1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293073-A1 Chroman-6-sulphonyl derivatives Wendstone Chemicals P.L.C. (GB) 1988-11-30 — — EP claimed
US-4558164-A Production of dinitrodiphenyl ether E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-12-10 — — US claimed
US-4537999-A REACTION OF DINITROANISOLES WITH AN ALCOHOL IN PRESENCE OF AN ALKALINE COMPOUND CHISSO CORPORATION (JP) 1985-08-27 — — US claimed
US-4277624-A REPLACEMENT OF A NITRO GROUP WITH A HYDROXY, ETHER, MERCAPTAN, OR SULFIDE MITSUI TOATSU CHEMICALS, INC. (JP) 1981-07-07 — — US claimed
JP-59062551-A — — None — — JP disclosed
CN-118388957-A Preparation method of nylon composite material for household appliance gasket 浙江浩南精密电子有限公司 2024-07-26 — — CN disclosed
CN-114835658-B Fluorescent probe for detecting hydrogen sulfide and preparation method and application thereof 华南师范大学 2024-04-26 — — CN disclosed
US-20240101590-A1 METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE 2024-03-28 — — US disclosed
CN-115197204-B Preparation and application of hydrogen sulfide fluorescent probe based on thiophene-xanthene dye 湘潭大学 2023-12-08 — — CN disclosed
CN-112159377-B Near infrared emission and simultaneous identification H 2 S、HSO 3- Fluorescent probe of (2) and use thereof 渤海大学 2023-07-11 — — CN disclosed
US-11634451-B2 Method for the site-specific enzymatic labelling of nucleic acids in vitro by incorporation of unnatural nucleotides THE SCRIPPS RESEARCH INSTITUTE (US) 2023-04-25 — — US disclosed
CN-115197204-A Preparation and application of hydrogen sulfide fluorescent probe based on thiophene-xanthene dye 湘潭大学 2022-10-18 — — CN disclosed
US-4936901-A Formulations of water-dispersible granules and process for preparation thereof MONSANTO COMPANY (US) 1990-06-26 — — US disclosed
US-4854935-A OXIDATION COLOR DYE COUPLERS WELLA AKTIENGESELLSCHAFT (DE) 1989-08-08 — — US disclosed
EP-0252897-A2 Formulations of water-dispersible granules and process for preparation thereof Monsanto Company (US) 1988-01-13 — — EP disclosed
US-4537999-A REACTION OF DINITROANISOLES WITH AN ALCOHOL IN PRESENCE OF AN ALKALINE COMPOUND CHISSO CORPORATION (JP) 1985-08-27 — — US disclosed
US-4537999-A REACTION OF DINITROANISOLES WITH AN ALCOHOL IN PRESENCE OF AN ALKALINE COMPOUND CHISSO CORPORATION (JP) 1985-08-27 — — US disclosed
US-4537999-A REACTION OF DINITROANISOLES WITH AN ALCOHOL IN PRESENCE OF AN ALKALINE COMPOUND CHISSO CORPORATION (JP) 1985-08-27 — — US disclosed
JP-S5962551-A PREPARATION OF DINITROPHENYL ETHERS CHISSO CORP 1984-04-10 — — JP disclosed
EP-0018540-A1 Esters of isocamphyl-guaiacum, process of their preparation and their use in the preparation of (isocamphyl-5-)-3 cyclohexanol HAARMANN & REIMER GMBH (DE) 1980-11-12 — — 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 (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-20240101590-A1 METHOD FOR THE SITE-SPECIFIC ENZYMATIC LABELLING OF NUCLEIC ACIDS IN VITRO BY INCORPORATION OF UNNATURAL NUCLEOTIDES RNGTT, POLM, POLRMT GPR35 4159/4885TSHR 3793/4885L3MBTL1 445/4885
US-11634451-B2 Method for the site-specific enzymatic labelling of nucleic acids in vitro by incorporation of unnatural nucleotides RNGTT, POLM, POLRMT GPR35 4159/4885TSHR 3793/4885L3MBTL1 445/4885

“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.