Sugi Predict

Sugi Predict / Compounds / SCHEMBL324160

SCHEMBL324160

SCHEMBL324160

O=CNc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.58
▸ EPHX2 P34913 3/20 0.56
▸ MAPT P10636 5/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ KIF11 P52732 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TRPV1 Q8NER1 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46

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
SCHEMBL3128866 0.88 GAA (0.49) GAAEPHX2MAPTKMT2AKIF11
SCHEMBL2091055 0.85 GAA (0.44) GAAEPHX2MAPTKMT2AKIF11
SCHEMBL1176543 0.80 ALDH1A1 (0.45) GAAEPHX2MAPTKMT2AKIF11
SCHEMBL12613959 0.80 MAPT (0.56) GAAEPHX2MAPTKMT2AKIF11
SCHEMBL5538997 0.80 GAA (0.54) GAAEPHX2MAPTKMT2AKIF11
SCHEMBL17082468 0.80 GAA (0.54) GAAEPHX2MAPTKMT2AKIF11
SCHEMBL5544305 0.78 GAA (0.61) GAAEPHX2MAPTKMT2AKIF11
SCHEMBL5544303 0.78 GAA (0.61) GAAEPHX2MAPTKMT2AKIF11
SCHEMBL1188518 0.78 SLC22A12 (0.49) GAAEPHX2MAPTKIF11ALDH1A1
SCHEMBL21092106 0.76 CHRNA7 (0.39) GAAEPHX2MAPTKIF11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929695-B Sulfimide psoralen derivatives, and preparation method and application thereof 南开大学 2024-06-07 — — CN claimed
CN-113929695-A Sulfenimide psoralen derivatives, and preparation method and application thereof 南开大学 2022-01-14 — — CN claimed
EP-2027141-A1 11BETA-BENZALDOXIME DERIVATIVES OF D-HOMOOESTRA-4,9-DIEN-3-ONES Bayer Schering Pharma AG (DE) 2009-02-25 — — EP claimed
US-7473709-B2 11β-benzaldoxime derivatives of D-homooestra-4,9-dien-3-ones BAYER SCHERING PHARMA AG (DE) 2009-01-06 — — US claimed
US-20070149621-A1 11Beta-benzaldoxime derivatives of D-homooestra-4,9-dien-3-ones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 — — US claimed
WO-2007065726-A1 11β-BENZALDOXIME DERIVATIVES OF D-HOMOOESTRA-4,9-DIEN-3-ONES BAYER SCHERING PHARMA AG (DE) 2007-06-14 — — WO claimed
EP-1322608-B1 DELTA1-PYRROLINES USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2007-05-02 — — EP claimed
US-6995185-B2 Δ1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2006-02-07 — — US claimed
US-20040068122-A1 Delta1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2004-04-08 — — US claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 — — US claimed
CN-113929695-B Sulfimide psoralen derivatives, and preparation method and application thereof 南开大学 2024-06-07 — — CN disclosed
CN-118146151-A 4-Trifluoromethyl substituted quinoline and quinazoline compound and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2024-06-07 — — CN 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
CN-113929695-A Sulfenimide psoralen derivatives, and preparation method and application thereof 南开大学 2022-01-14 — — CN disclosed
EP-3705481-A1 HETEROARYL AMIDE COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITIONS THEREOF, AND APPLICATIONS THEREOF Rui Jin Hospital Affiliated To Shanghai Jiao Tong University School of Medicine (CN) 2020-09-09 — — EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 — — WO disclosed
US-4822903-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-04-18 — — US disclosed
US-4504595-A Fluorinated silica catalyst and preparation of aromatic/aliphatic nitriles in the presence thereof RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-03-12 — — US disclosed
EP-0065447-B1 FLUOR-CONTAINING SILICA CATALYSTS; THEIR PREPARATION, AND THEIR USE IN THE PREPARATION OF NITRILES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-09-05 — — EP disclosed
EP-0065447-A1 Fluor-containing silica catalysts; their preparation, and their use in the preparation of nitriles RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-11-24 — — EP 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-20070149621-A1 11Beta-benzaldoxime derivatives of D-homooestra-4,9-dien-3-ones HSD17B13, HSD17B7, HSD17B11 GAA 3862/4885EPHX2 812/4885MAPT 4631/4885
US-20040068122-A1 Delta1-pyrrolines used as pesticides DDT, ADRA1D, OPRD1 GAA 3891/4885EPHX2 2523/4885MAPT 3155/4885

“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.