Sugi Predict

Sugi Predict / Compounds / SCHEMBL3676684

SCHEMBL3676684

SCHEMBL3676684

O=C(c1ccccc1)n1[nH]ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ P2RX4 Q99571 3/20 0.41
▸ HPGD P15428 1/20 0.40
▸ TYMP P19971 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ DAO P14920 1/20 0.38
▸ NAPRT Q6XQN6 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ ELANE P08246 1/20 0.38

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
SCHEMBL9021095 0.77 — —
SCHEMBL14491 0.72 TYMP (0.49) SIGMAR1GSK3AGSK3BP2RX4HPGD
SCHEMBL11394680 0.69 CYP3A4 (0.46) HPGDHTTALDH1A1IDO1RAB9A
SCHEMBL28545719 0.68 ALDH1A1 (0.50) SIGMAR1GSK3AGSK3BP2RX4HPGD
SCHEMBL11792243 0.66 P2RX4 (0.59) SIGMAR1GSK3AGSK3BP2RX4HPGD
SCHEMBL31466054 0.66 TYMP (0.58) SIGMAR1GSK3AGSK3BP2RX4TYMP
SCHEMBL30063016 0.65 ALDH1A1 (0.55) SIGMAR1HPGDHTTALDH1A1ACHE
SCHEMBL3015728 0.65 TYMP (0.54) SIGMAR1GSK3AGSK3BP2RX4HPGD
SCHEMBL31621004 0.63 TYMP (0.60) SIGMAR1GSK3AGSK3BP2RX4HPGD
SCHEMBL1321593 0.63 P2RX4 (0.57) SIGMAR1GSK3AGSK3BP2RX4HPGD

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-111732123-B Method for preparing magnesium metavanadate from waste SCR denitration catalyst 北京华电光大环境股份有限公司 2022-03-01 — — CN claimed
CN-111732123-A Method for preparing magnesium metavanadate from waste SCR denitration catalyst 北京华电光大环境股份有限公司 2020-10-02 — — CN claimed
US-6500950-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-12-31 — — US claimed
US-6271179-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-08-07 — — US claimed
CN-111732123-B Method for preparing magnesium metavanadate from waste SCR denitration catalyst 北京华电光大环境股份有限公司 2022-03-01 — — CN disclosed
CN-112369423-A Topramezone and topramezone composite herbicide 江苏东宝农化股份有限公司 2021-02-19 — — CN disclosed
CN-111732123-A Method for preparing magnesium metavanadate from waste SCR denitration catalyst 北京华电光大环境股份有限公司 2020-10-02 — — CN disclosed
CN-110856487-A Pesticide composition containing nicosulfuron, rimsulfuron and topramezone and application thereof 北京颖泰嘉和生物科技股份有限公司 2020-03-03 — — CN disclosed
US-20170209400-A1 METHODS AND TOPICAL FORMULATIONS FOR TREATING INFLAMMATION LIVIONEX INC (US) 2017-07-27 — — US disclosed
US-9616127-B2 Method and topical formulation for treating localized edema LIVIONEX INC. (US) 2017-04-11 — — US disclosed
US-20100069335-A1 Prevention and Treatment of Ophthalmic Complications of Diabetes LIVIONEX INC. 2010-03-18 — — US disclosed
US-20100063152-A1 Method and Topical Formulation for Treating Localized Edema LIVIONEX INC. 2010-03-11 — — US disclosed
US-6894070-B2 3-Aminocarbonyl substituted benzoylpyrazolones BAYER CROPSCIENCE GMBH (DE) 2005-05-17 — — US disclosed
US-6894070-B2 3-Aminocarbonyl substituted benzoylpyrazolones BAYER CROPSCIENCE GMBH (DE) 2005-05-17 — — US disclosed
EP-1529034-A1 BENZOYLPYRAZOLONES SUBSTITUTED BY 3-AMINOCARBONYL Bayer CropScience GmbH (DE) 2005-05-11 — — EP disclosed
US-20040167029-A1 Substituted benzoyl derivatives as herbicides BAYER CROPSCIENCE GMBH (DE) 2004-08-26 — — US disclosed
WO-2004063187-A1 SUBSTITUTED BENZOYL DERIVATIVES USES AS HERBICIDES BAYER CROPSCIENCE GMBH (DE) 2004-07-29 — — WO disclosed
US-20040072693-A1 3-aminocarbonyl substituted benzoylpyrazolones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-04-15 — — US disclosed
US-20040072693-A1 3-aminocarbonyl substituted benzoylpyrazolones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-04-15 — — US disclosed
WO-2004014863-A1 BENZOYLPYRAZOLONES SUBSTITUTED BY 3-AMINOCARBONYL BAYER CROPSCIENCE GMBH (DE) 2004-02-19 — — 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 (5 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-20040072693-A1 3-aminocarbonyl substituted benzoylpyrazolones CBR3, MT-CO3, CBR1 SIGMAR1 318/4885GSK3A 2012/4885GSK3B 2000/4885
US-20100069335-A1 Prevention and Treatment of Ophthalmic Complications of Diabetes SLC5A1, SLC2A8, SMS SIGMAR1 4280/4885GSK3A 4199/4885GSK3B 4232/4885
US-20100063152-A1 Method and Topical Formulation for Treating Localized Edema SLC5A6, SLC39A11, SLC38A7 SIGMAR1 3751/4885GSK3A 3626/4885GSK3B 3446/4885
US-20170209400-A1 METHODS AND TOPICAL FORMULATIONS FOR TREATING INFLAMMATION MMP8, CXCL8, MMP1 SIGMAR1 3463/4885GSK3A 3331/4885GSK3B 3055/4885
US-20040167029-A1 Substituted benzoyl derivatives as herbicides DDT, SQOR, CBR3 SIGMAR1 320/4885GSK3A 2523/4885GSK3B 2397/4885

“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.