Sugi Predict

Sugi Predict / Compounds / SCHEMBL423701

SCHEMBL423701

SCHEMBL423701

O=[C]Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.52
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 1/20 0.48
▸ KIF11 P52732 6/20 0.47
▸ CA12 O43570 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41

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
SCHEMBL2092098 0.83 EPHX2 (0.35) EPHX2CA1CA2KIF11CA12
SCHEMBL7789704 0.80 MEN1 (0.32) —
SCHEMBL28267012 0.79 SMN1; SMN2 (0.56) —
SCHEMBL5609358 0.79 PTPN11 (0.37) EPHX2CA1CA2KIF11NPC1
SCHEMBL1176756 0.77 TSHR (0.48) EPHX2CA1CA2KIF11NPC1
SCHEMBL5548188 0.77 KIF11 (0.47) EPHX2CA1CA2KIF11CA12
SCHEMBL131765 0.77 MAPT (0.46) CES2
SCHEMBL3246405 0.77 KIF11 (0.47) EPHX2CA1CA2KIF11CA12
SCHEMBL28287838 0.77 KIF11 (0.47) EPHX2CA1CA2KIF11CA12
SCHEMBL227215 0.75 MAPT (0.53) CA1KIF11CA12MMP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 — — US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 — — EP claimed
WO-2018114663-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 — — WO claimed
EP-2636669-B1 PYRAZOLE AMIDE COMPOUND AND USE THEREOF AS FUNGICIDE SINOCHEM CORP (CN) 2015-10-21 — — EP claimed
JP-2005530823-A — — 2005-10-13 — — JP claimed
US-20050215553-A1 Hexahydropyridazine-3-carboxylic acid hydrazide and hydrazone derivatives, combinatorial libraries containing same, pharmaceutical compositions containing same and methods of preparation AVENTIS PHARMA S.A. (FR) 2005-09-29 — — US claimed
EP-1515953-A2 NOVEL HEXAHYDRO-PYRIDAZINE-3-CARBOCYLIC ACID HYDRAZIDE OR HYDRAZONE DERIVATIVES, COMBINATORIAL LIBRARIES CONTAINING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS FOR PREPARING SAME Aventis Pharma S.A. (FR) 2005-03-23 — — EP claimed
WO-2003106431-A2 NOVEL HEXAHYDRO-PYRIDAZINE-3-CARBOCYLIC ACID HYDRAZIDE OR HYDRAZONE DERIVATIVES, COMBINATORIAL LIBRARIES CONTAINING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND METHODS FOR PREPARING SAME AVENTIS PHARMA S.A. (FR) 2003-12-24 — — WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 — — EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 — — US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 — — WO claimed
US-6110957-A ANTITUMOR AGENT TREATING CELL PROLIFERATIVE DISORDERS SUCH AS CANCER, DYES, FUNGICIDES, BACTERICIDES SUGEN, INC. (US) 2000-08-29 — — US claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ＆ライフソリューション株式会社 2024-04-04 — — WO disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 — — WO disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 — — WO disclosed
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 — — US disclosed
CN-1045393-A The tetrahydro benzo pyrans and the pyrazoles of Arthropodicidal DU PONT (US) 1990-09-19 — — CN disclosed
US-4933355-A ALDOSE REDUCTASE INHIBITORS SANKYO COMPANY LIMITED (JP) 1990-06-12 — — US disclosed
US-4252943-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1981-02-24 — — US disclosed
US-4217359-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1980-08-12 — — 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 (2 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-20050215553-A1 Hexahydropyridazine-3-carboxylic acid hydrazide and hydrazone derivatives, combinatorial libraries containing same, pharmaceutical compositions containing same and methods of preparation HK1, ACE, CTSZ EPHX2 508/4885CA1 67/4885CA2 116/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD EPHX2 1063/4885CA1 611/4885CA2 151/4885

“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.