Sugi Predict

Sugi Predict / Compounds / SCHEMBL642097

SCHEMBL642097

SCHEMBL642097

O=[N+]([O-])c1cccc(OBOc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.59
▸ LMNA P02545 1/20 0.59
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ ACHE P22303 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ F2 P00734 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL14617853 0.85 TSHR (0.55) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL4203388 0.82 TSHR (0.67) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL30043252 0.80 TSHR (0.64) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL6273333 0.80 TSHR (0.64) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL535532 0.78 TSHR (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL10948730 0.78 TSHR (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL30059246 0.78 LMNA (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL9628075 0.78 TSHR (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL5609078 0.78 TSHR (0.61) TSHRLMNACHRNB2CHRNA4ALDH1A1
SCHEMBL9158141 0.78 ALDH1A1 (0.67) TSHRLMNACHRNB2CHRNA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931454-B2 Wet-packed soft hydrogel ocular inserts ALCON INC. (CH) 2024-03-19 — — US claimed
CN-110511191-B Fluorescent probe for detecting water content in organic solvent and preparation method and application thereof 中国矿业大学 2021-04-06 — — CN claimed
CN-110483477-A A kind of diamine monomer and preparation method thereof containing pyridine and indole structure UNIV JIANGHAN 2019-11-22 — — CN claimed
CN-110194763-A A kind of diamine monomer and preparation method thereof containing pyrimidine and indole structure 江汉大学 2019-09-03 — — CN claimed
CN-103717575-B Process for the preparation of [ (3-hydroxypyridine-2-carbonyl) amino ] alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2016-11-30 — — CN claimed
CN-103910672-B The preparation method of Vismodegib 连云港润众制药有限公司 2016-10-05 — — CN claimed
US-8119622-B2 7-phenyl-substituted tetracycline compounds TRUSTEES OF TUFTS COLLEGE (US) 2012-02-21 — — US claimed
EP-1351963-B1 A PROCESS FOR THE SYNTHESIS OF ATORVASTATIN FORM V AND PHENYLBORONATES AS INTERMEDIATE COMPOUNDS BIOCON LTD (IN) 2010-08-18 — — EP claimed
US-20100160656-A1 7-PHENYL-SUBSTITUTED TETRACYCLINE COMPOUNDS PARATEK PHARMACEUTICALS, INC. 2010-06-24 — — US claimed
WO-2004009752-A1 ALKALINE LIQUID DETERGENT COMPOSITION CJ CORPORATION (KR) 2004-01-29 — — WO claimed
US-6051251-A Liposome loading method using a boronic acid compound ALZA CORPORATION (US) 2000-04-18 — — US claimed
EP-4724443-A1 PYRAZOLO-PYRIMIDINONE COMPOUNDS FOR USE IN METHODS OF INHIBITING WEE1 A KINASE Acrivon Therapeutics, Inc. (US) 2026-04-15 — — EP disclosed
EP-4709721-A1 DUAL EZH2-HSP90 INHIBITORS Taipei Medical University (TW) 2026-03-18 — — EP disclosed
US-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 — — US disclosed
US-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-05-22 — — US disclosed
US-5475003-A Antiinflammatory agent, immunosuppressive, antiallergens, bronchodilators, analgens SYNTEX (U.S.A.) INC. (US) 1995-12-12 — — US disclosed
US-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 — — US disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 — — WO disclosed
EP-0583383-A1 LIQUID DETERGENTS WITH AN ARYL BORONIC ACID. PROCTER & GAMBLE (US) 1994-02-23 — — EP disclosed
WO-1992019707-A1 LIQUID DETERGENTS WITH AN ARYL BORONIC ACID THE PROCTER & GAMBLE COMPANY (US) 1992-11-12 — — WO 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-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH NFATC1, GZMB, IFNG TSHR 3786/4885LMNA 2546/4885CHRNB2 2933/4885
US-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 TSHR 569/4885LMNA 4699/4885CHRNB2 241/4885
US-20100160656-A1 7-PHENYL-SUBSTITUTED TETRACYCLINE COMPOUNDS TCF7, TPR, CYP3A7 TSHR 1029/4885LMNA 2025/4885CHRNB2 4822/4885
US-11931454-B2 Wet-packed soft hydrogel ocular inserts BRI3BP, BRWD1, HRH2 TSHR 506/4885LMNA 3870/4885CHRNB2 2102/4885

“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.