SCHEMBL2381912

SCHEMBL2381912

O=C(CCl)c1c(F)cc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
ERN1 O75460 1/20 0.38
GSK3B P49841 9/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.37
HIF1A Q16665 2/20 0.37
TRPA1 O75762 1/20 0.37
MITF O75030 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL23116938 0.88 SPR (0.40) CES2CES1ERN1GSK3BALDH1A1
SCHEMBL29924838 0.84 GSK3B (0.43) GSK3BALDH1A1MAPK1HIF1ATRPA1
SCHEMBL21575096 0.79 NPC1 (0.38) CES2CES1ERN1ALDH1A1RAB9A
SCHEMBL6196010 0.78 MAPT (0.43) ALDH1A1MITFHTTRAB9ASMN1; SMN2
SCHEMBL6194822 0.77 PTPN1 (0.48) CES2CES1ERN1GSK3BGAA
SCHEMBL3422296 0.77 KMT2A (0.48) CES2CES1ERN1ALDH1A1MAPT
SCHEMBL16795535 0.77 CES2 (0.56) CES2CES1GSK3BALDH1A1MAPK1
SCHEMBL3093741 0.74 CES2 (0.54) CES2CES1GSK3BALDH1A1MAPK1
SCHEMBL289690 0.73 CES2 (0.44) CES2CES1ERN1ALDH1A1GAA
SCHEMBL12304057 0.72 FFAR1 (0.53) CES2CES1ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234627-B Pyridone compound and agricultural/horticultural bactericide containing pyridone compound as active ingredient 三井化学植保株式会社 2023-09-01 CN disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11071736-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION 2021-07-27 US disclosed
US-10588909-B2 Modulators of HEC1 activity and methods therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2020-03-17 US disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2011-09-22 US disclosed
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2011-09-22 US disclosed
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor TAIVEX THERAPEUTICS CORPORATION (TW) 2011-09-22 US disclosed
EP-1215208-B1 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases AGOURON PHARMA (US) 2006-07-12 EP disclosed
EP-1056732-B1 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMA (US) 2006-01-11 EP disclosed
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CHONG WESLEY K M (US) 2003-11-27 US disclosed
US-6569878-B1 Such as 4-amino-2-phenylamino-thiazol-5-yl)-(3-nitrophenyl)-methanone for treating cancer AGOURON PHARMACEUTICALS INC. 2003-05-27 US disclosed
EP-1215208-A2 4-Aminothiazole derivatives, their preparation and their use as inhibitors of cyclin-dependent kinases Agouron Pharmaceuticals, Inc. (US) 2002-06-19 EP disclosed
EP-1056732-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 2000-12-06 EP disclosed
WO-1999021845-A2 4-AMINOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASES AGOURON PHARMACEUTICALS, INC. (US) 1999-05-06 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 (6 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK CES2 2171/4885CES1 662/4885ERN1 2461/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK CES2 2171/4885CES1 662/4885ERN1 2461/4885
US-10588909-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 CES2 1806/4885CES1 439/4885ERN1 133/4885
US-11071736-B2 Modulators of HEC1 activity and methods therefor WEE1, WEE2, NEK11 CES2 1806/4885CES1 439/4885ERN1 133/4885
US-20030220326-A1 Compounds, pharmaceutical compositions, and methods for inhibiting cyclin-dependent kinases CDK2, CDK4, CDK1 CES2 2789/4885CES1 2068/4885ERN1 900/4885
US-20110230486-A1 Modulators Of HEC1 Activity And Methods Therefor WEE1, WEE2, NEK11 CES2 1924/4885CES1 409/4885ERN1 135/4885

“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.