Sugi Predict

Sugi Predict / Compounds / SCHEMBL97029

SCHEMBL97029

SCHEMBL97029

Cc1c(F)cccc1C=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 3/20 0.57
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KCNJ1 P48048 1/20 0.42
▸ NFE2L2 Q16236 3/20 0.41
▸ TLR2 O60603 1/20 0.38
▸ TLR1 Q15399 1/20 0.38
▸ TLR6 Q9Y2C9 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ TRIM24 O15164 2/20 0.38
▸ TRIM33 Q9UPN9 2/20 0.38
▸ ACHE P22303 1/20 0.37
▸ KCNN4 O15554 1/20 0.36

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
SCHEMBL29956284 1.00 ERN1 (0.57) ERN1ALDH1A1TSHRMEN1LMNA
SCHEMBL22122728 0.98 ERN1 (0.55) ERN1ALDH1A1TSHRMEN1LMNA
Hydrochloric Acid SCHEMBL28546985 0.98 ERN1 (0.55) ERN1ALDH1A1TSHRMEN1LMNA
Hydrochloric Acid SCHEMBL28530037 0.98 ERN1 (0.55) ERN1ALDH1A1TSHRMEN1LMNA
SCHEMBL2451551 0.83 ALDH1A1 (0.59) ERN1ALDH1A1TSHRMEN1LMNA
SCHEMBL5232154 0.79 ERN1 (0.43) ERN1ALDH1A1TSHRMEN1LMNA
SCHEMBL7542298 0.77 NFE2L2 (0.41) ERN1ALDH1A1TDP1NFE2L2ACHE
SCHEMBL16951325 0.77 ERN1 (0.42) ERN1ALDH1A1NFE2L2ACHE
SCHEMBL29444 0.76 TSHR (0.65) ERN1ALDH1A1TSHRMEN1LMNA
SCHEMBL30395616 0.76 ALDH1A1 (0.52) ERN1ALDH1A1TSHRMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 — — CN claimed
CN-114409595-A 1-styryl isoquinoline derivative and preparation and application thereof 南华大学附属第一医院 2022-04-29 — — CN claimed
CN-110256195-A A kind of preparation method of the condensed-nuclei aromatics of aphthacene structure 武汉理工大学 2019-09-20 — — CN claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 — — US claimed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 — — CN claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 — — EP claimed
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof LION BIOSCIENCE AG (DE) 2003-12-18 — — US claimed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 — — US claimed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 — — US claimed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 — — WO claimed
US-12351575-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2025-07-08 — — US disclosed
US-12280023-B2 Fluorophenyl beta-hydroxyethylamines and their use in the treatment of hyperglycaemia ATROGI AB (SE) 2025-04-22 — — US disclosed
CN-114026095-B Alternative process for preparing [ [ [ 4-phenyl-5-alkoxycarbonyl-2-thiazol-2-yl-1, 4-dihydropyrimidin-6-yl ] methyl ] -3-oxo-5, 6,8 a-tetrahydro-1H-imidazo [1,5-a ] pyrazin-2-yl ] -carboxylic acid 豪夫迈·罗氏有限公司 2025-02-07 — — CN disclosed
EP-3695837-B1 A TLR7 AGONIST AND AN HBV CAPSID ASSEMBLY INHIBITOR FOR TREATING HEPATITIS B HOFFMANN LA ROCHE (CH) 2024-11-20 — — EP disclosed
CN-118930444-A Fluorophenyl beta-hydroxyethylamine and its use in the treatment of hyperglycaemia 阿托基公司 2024-11-12 — — CN disclosed
WO-1995032184-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS ARQULE, INC. (US) 1995-11-30 — — WO disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 — — US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 — — US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 — — US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 — — 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-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 ERN1 3953/4885ALDH1A1 599/4885TSHR 4279/4885
US-20030232994-A1 Bicyclic thiophene derivatives and combinatorial libraries thereof CXCR2, BICRA, CXCR1 ERN1 1871/4885ALDH1A1 928/4885TSHR 771/4885
US-12351575-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection DPYD, CYP2D6, CYP2B6 ERN1 2275/4885ALDH1A1 1133/4885TSHR 1928/4885
US-12280023-B2 Fluorophenyl beta-hydroxyethylamines and their use in the treatment of hyperglycaemia GPR119, SLC5A2, SLC5A1 ERN1 1587/4885ALDH1A1 445/4885TSHR 1556/4885

“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.