Sugi Predict

Sugi Predict / Compounds / SCHEMBL926435

SCHEMBL926435

SCHEMBL926435

COC(=O)C(=[N+]=[N-])c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.44
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NLRP1 Q9C000 1/20 0.39

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
SCHEMBL15445138 0.84 TDP1 (0.52) HPGDCES2CES1ALDH1A1LMNA
SCHEMBL28366619 0.84 CA1 (0.52) ALDH1A1TSHRMAPTKDM4EL3MBTL1
SCHEMBL14638953 0.82 TPMT (0.41) ALDH1A1MAPTKDM4EL3MBTL1CA1
SCHEMBL27154482 0.82 RAB9A (0.44) HPGDCES2CES1ALDH1A1TSHR
SCHEMBL1702960 0.82 MEN1 (0.44) HPGDCES2CES1ALDH1A1LMNA
SCHEMBL14638933 0.82 CA1 (0.53) CES2CES1ALOX15LMNAMAPT
SCHEMBL545737 0.81 TSHR (0.50) HPGDCES2CES1ALDH1A1ALOX15
SCHEMBL28783011 0.81 SMN1; SMN2 (0.49) HPGDCES2CES1ALDH1A1TSHR
SCHEMBL29782139 0.81 HPGD (0.48) HPGDALDH1A1TSHRMAPTKDM4E
SCHEMBL28782966 0.81 MEN1 (0.43) HPGDCES2CES1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417738-B Photo-induced alpha-hydrofluorination method for diazoaryl ester compound 哈尔滨工业大学（深圳） 2023-10-03 — — CN claimed
CN-115417738-A Photoinduced diazoaryl ester compound alpha-hydrofluorination method 哈尔滨工业大学（深圳） 2022-12-02 — — CN claimed
CN-110734441-B 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-09-04 — — CN claimed
CN-110734441-A 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-01-31 — — CN claimed
CN-122006718-A 4-Ethyl guaiacol derivative and preparation method thereof 中国人民解放军陆军军医大学第二附属医院 2026-05-12 — — CN disclosed
CN-119269685-A Method for determining short-chain free fatty acid and application thereof 西北农林科技大学 2025-01-07 — — CN disclosed
CN-115417738-B Photo-induced alpha-hydrofluorination method for diazoaryl ester compound 哈尔滨工业大学（深圳） 2023-10-03 — — CN disclosed
CN-115417738-A Photoinduced diazoaryl ester compound alpha-hydrofluorination method 哈尔滨工业大学（深圳） 2022-12-02 — — CN disclosed
CN-112898213-B Polysubstituted 1, 3-diene supported ring compound and application thereof 中国科学院上海药物研究所 2022-11-04 — — CN disclosed
CN-109988090-B Tetrahydropyrrole derivative and synthetic method and application thereof 华东师范大学 2022-07-22 — — CN disclosed
CN-111116368-B Green preparation method of aryl alpha-keto acid ester compound 河南师范大学 2022-07-22 — — CN disclosed
CN-114736124-A Method for constructing quaternary carbon center by selectively inserting iron-catalyzed diazo compound into C (sp) -C (sp3) bond of propargyl alcohol 湖南警察学院 2022-07-12 — — CN disclosed
US-20140249199-A1 TAK1 KINASE INHIBITORS, COMPOSITIONS, AND USED RELATED THERETO HEALTH RESEARCH, INC. (US) 2014-09-04 — — US disclosed
US-20140080829-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2014-03-20 — — US disclosed
US-8618097-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2013-12-31 — — US disclosed
WO-2013012998-A1 TAK1 KINASE INHIBITORS, COMPOSITIONS, AND USED RELATED THERETO EMORY UNIVERSITY (US) 2013-01-24 — — WO disclosed
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2011-01-20 — — US disclosed
CN-101801955-A Pyrimidyl cyclopentanes as akt protein kinase inhibitors ARRAY BIOPHARMA INC 2010-08-11 — — CN disclosed
EP-2170863-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-04-07 — — EP disclosed
WO-2009006567-A2 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-01-08 — — 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 (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-20140080829-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 HPGD 1139/4885CES2 2826/4885CES1 1631/4885
US-20140249199-A1 TAK1 KINASE INHIBITORS, COMPOSITIONS, AND USED RELATED THERETO TAB1, MAP3K1, MAP3K6 HPGD 2797/4885CES2 4538/4885CES1 3038/4885
US-20110015204-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 HPGD 1265/4885CES2 3017/4885CES1 1771/4885

“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.