Sugi Predict

Sugi Predict / Compounds / SCHEMBL77925

SCHEMBL77925

SCHEMBL77925

O=C(O)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ MAPT P10636 3/20 0.54
▸ HIF1A Q16665 1/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CTSV O60911 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ CES2 O00748 1/20 0.47
▸ MPO P05164 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
SCHEMBL25837924 1.00 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15MAPT
Hydrochloric Acid SCHEMBL17164230 0.98 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL28281577 0.93 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL28612092 0.89 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL1654660 0.85 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL195145 0.85 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL887048 0.84 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL31509357 0.84 MAPT (0.56) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL947293 0.84 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL1360146 0.84 MAPT (0.56) ALDH1A1TDP1CYP3A4ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119409577-B Preparation method of 2-fluoro-4-nitrobenzoic acid 山东极地医药科技有限公司 2025-03-21 — — CN claimed
WO-2025043316-A1 PROCESS FOR OBTAINING ANTI-INFLAMMATORY COMPOUNDS, SAID COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USE OF SAID COMPOUNDS AND OF THE PHARMACEUTICAL COMPOSITION UNIVERSIDADE ESTADUAL DE CAMPINAS (BR) 2025-03-06 — — WO claimed
CN-119409577-A Preparation method of 2-fluoro-4-nitrobenzoic acid 山东极地医药科技有限公司 2025-02-11 — — CN claimed
CN-113325036-B GO-MOF composite material, dimethylamine QCM sensor and preparation method thereof 重庆大学 2024-08-06 — — CN claimed
CN-118281338-A F & NO-containing material2Methyl benzoate electrolyte, lithium ion battery and preparation method thereof 电子科技大学 2024-07-02 — — CN claimed
CN-115974812-B Fluorescent probe for nondestructive monitoring of fish freshness and preparation method and application thereof 渤海大学 2024-03-08 — — CN claimed
CN-115974812-A Fluorescent probe for nondestructive monitoring of fish freshness and preparation method and application thereof 渤海大学 2023-04-18 — — CN claimed
CN-113880762-B Triacylamine derivatives containing 1,8-naphthalimide as well as preparation method and application thereof 河北农业大学 2023-02-21 — — CN claimed
CN-113880762-A 1, 8-naphthalimide-containing triacylamine derivatives, and preparation method and application thereof 河北农业大学 2022-01-04 — — CN claimed
CN-113325036-A GO-MOF composite material and dimethylamine QCM sensor and preparation method thereof 重庆大学 2021-08-31 — — CN claimed
CN-106986789-A Hydroquinone compound and preparation method thereof and the application in antitumor or immunological regulation 中国人民解放军军事医学科学院生物医学分析中心 2017-07-28 — — CN claimed
CN-106800536-A A kind of preparation method of the miscellaneous Shandong amine of grace 南京慧博生物科技有限公司 2017-06-06 — — CN claimed
CN-103304439-B The preparation method of the fluoro-N-methyl-benzamide of a kind of 4-amino-2- Changzhou University (CN) 2015-08-12 — — CN claimed
CN-104710367-A Method for synthesizing enzalutamide UNIV CHINA PHARMA 2015-06-17 — — CN claimed
US-20150112082-A1 DIARYLHYDANTOIN COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2015-04-23 — — US claimed
CN-103923765-A Detergent Composition For Process Of Manufacturing Semiconductors And Displays COWON INNOTECH INC 2014-07-16 — — CN claimed
CN-103304439-A Preparation method of 4-amino-2-fluoro-methyl benzamide UNIV CHANGZHOU 2013-09-18 — — CN claimed
EP-1244613-A2 METHODS FOR PRODUCING CYANOBENZOIC ACID DERIVATIVES MILLENIUM PHARMACEUTICALS, INC. (US) 2002-10-02 — — EP claimed
US-20020072626-A1 Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds COR THERAPEUTICS, INC. 2002-06-13 — — US claimed
WO-2001042198-A2 METHODS FOR PRODUCING CYANOBENZOIC ACID DERIVATIVES MILLENIUM PHARMACEUTICALS, INC. (US) 2001-06-14 — — WO 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 (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-20020072626-A1 Methods for producing 3-cyano- and 4-cyano-benzoic acid derivative compounds PFKP, PCCA, TBXAS1 ALDH1A1 931/4885TDP1 2615/4885CYP3A4 149/4885
US-20150112082-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG ALDH1A1 911/4885TDP1 2211/4885CYP3A4 1113/4885

“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.