Sugi Predict

Sugi Predict / Compounds / SCHEMBL2592329

SCHEMBL2592329

SCHEMBL2592329

O=C(O)c1ccc(OCCBr)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.69
▸ MAPK1 P28482 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ PLA2G4B P0C869 6/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ USP2 O75604 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ RARB P10826 4/20 0.56
▸ HTT P42858 1/20 0.56
▸ NR4A1 P22736 1/20 0.55
▸ NR4A2 P43354 1/20 0.55
▸ NR4A3 Q92570 1/20 0.55
▸ RXRA P19793 1/20 0.54
▸ RXRB P28702 1/20 0.54
▸ PLA2G4A P47712 1/20 0.53

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
SCHEMBL1925564 0.90 PKM (0.67) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL5482659 0.90 TP53 (0.69) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL5096607 0.89 TP53 (0.72) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL4743266 0.89 TP53 (0.72) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL303109 0.89 TP53 (0.72) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL9666009 0.89 TP53 (0.72) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL5477923 0.89 TP53 (0.72) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL303140 0.89 TP53 (0.72) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL196110 0.87 PKM (0.88) PKMMAPK1TSHRTP53PLA2G4B
SCHEMBL69068 0.86 GAA (0.59) PKMMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322240-B Cholesterol selenocyanate compound, and preparation method and application thereof 南宁师范大学 2023-09-12 — — CN claimed
CN-115322240-A Cholesterol selenocyanate compound and preparation method and application thereof 南宁师范大学 2022-11-11 — — CN claimed
CN-116987061-A 4-methyl quinazoline derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-11-03 — — CN disclosed
CN-115322240-B Cholesterol selenocyanate compound, and preparation method and application thereof 南宁师范大学 2023-09-12 — — CN disclosed
CN-115322240-A Cholesterol selenocyanate compound and preparation method and application thereof 南宁师范大学 2022-11-11 — — CN disclosed
US-20220098162-A1 APHTHYLAMINE COMPOUND AND BIOLOGICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HENAN RADIOMEDICAL SCIENCE AND TECH CO LTD (CN) 2022-03-31 — — US disclosed
WO-2021037090-A1 NAPHTHYLAMINE COMPOUND AND BIOLOGICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 河南省锐达医药科技有限公司 2021-03-04 — — WO disclosed
WO-2021037090-A1 NAPHTHYLAMINE COMPOUND AND BIOLOGICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 河南省锐达医药科技有限公司 2021-03-04 — — WO disclosed
CN-110526881-B Naphthylamine compound and biologically acceptable salt thereof, and preparation method and application thereof 河南省锐达医药科技有限公司 2020-09-22 — — CN disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 — — US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 — — US disclosed
EP-0874826-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1998-11-04 — — EP disclosed
WO-1997024331-A1 NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-07-10 — — WO disclosed
EP-0062504-B1 PROCESS FOR PREPARING 3-(4-AMINOETHOXYBENZOYL)BENZO(B)THIOPHENES ELI LILLY AND COMPANY (US) 1986-01-02 — — EP disclosed
US-4461905-A THROMBOXANE SYNTHETASE INHIBITOR INTERMEDIATE ONO PHARMACEUTICAL CO., LTD. (JP) 1984-07-24 — — US disclosed
US-4418068-A Antiestrogenic and antiandrugenic benzothiophenes ELI LILLY AND COMPANY (US) 1983-11-29 — — US disclosed
US-4358593-A BY ACYLATION OF PROTECTED 6-HYDROXY,2-(4-HYDROXYPHENYL) BENZO (B)THIOPHENE USING A FRIEDEL CRAFTS CATALYSTS; HYDROLYSIS ELI LILLY AND COMPANY (US) 1982-11-09 — — US disclosed
EP-0062503-A1 Benzothiophene compounds and process for preparing them ELI LILLY AND COMPANY (US) 1982-10-13 — — EP disclosed
EP-0062504-A1 Process for preparing 3-(4-aminoethoxybenzoyl)benzo(b)thiophenes ELI LILLY AND COMPANY (US) 1982-10-13 — — EP disclosed
US-4081447-A ADRENERGIC BLOCKING AGENTS ABBOTT LABORATORIES (US) 1978-03-28 — — 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 (1 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-20220098162-A1 APHTHYLAMINE COMPOUND AND BIOLOGICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HASPIN, SLC7A1, INMT PKM 2460/4885MAPK1 1285/4885TSHR 172/4885

“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.