SCHEMBL1009003

SCHEMBL1009003

CN1N=C(C(F)(F)F)CC1=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.67
RECQL P46063 2/20 0.67
KDM4E B2RXH2 2/20 0.67
GAA P10253 1/20 0.67
THRB P10828 1/20 0.67
LOX P28300 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
APAF1 O14727 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL21991169 0.83 KDM4E (0.62) L3MBTL1RECQLKDM4EGAATHRB
SCHEMBL7252699 0.80 L3MBTL1 (1.00) L3MBTL1RECQLKDM4EGAATHRB
SCHEMBL14208206 0.75 KDM4E (0.42) L3MBTL1RECQLKDM4EGAATHRB
SCHEMBL1461002 0.74 GAA (0.37) L3MBTL1RECQLKDM4EGAATHRB
SCHEMBL7400810 0.66 ALDH1A1 (0.36) L3MBTL1RECQLKDM4EGAATHRB
SCHEMBL17525125 0.65 GAA (0.50) L3MBTL1RECQLKDM4EGAATHRB
SCHEMBL12285505 0.65
SCHEMBL877580 0.65 GAA (0.45) L3MBTL1RECQLKDM4EGAATHRB
SCHEMBL17522580 0.62
SCHEMBL3618042 0.62 GAA (0.47) L3MBTL1RECQLKDM4EGAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661278-A1 Blocked polyisocyanates RHONE-POULENC CHIMIE (FR) 1995-07-05 EP claimed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed
US-10734683-B2 Additive containing electrolytes for high energy rechargeable metal anode batteries Viking Power Systems Pte. Ltd. (SG) 2020-08-04 US disclosed
EP-3497738-A1 ADDITIVE CONTAINING ELECTROLYTES FOR HIGH ENERGY RECHARGEABLE METAL ANODE BATTERIES Pellion Technologies Inc. (US) 2019-06-19 EP disclosed
CN-109804487-A The electrolyte comprising additive for high-energy rechargeable metal anode battery 派立昂技术公司 2019-05-24 CN disclosed
US-20180048025-A1 ADDITIVE CONTAINING ELECTROLYTES FOR HIGH ENERGY RECHARGEABLE METAL ANODE BATTERIES PELLION TECHNOLOGIES, INC. (US) 2018-02-15 US disclosed
US-20180048017-A1 ADDITIVE CONTAINING ELECTROLYTES FOR HIGH ENERGY RECHARGEABLE METAL ANODE BATTERIES PELLION TECHNOLOGIES, INC. (US) 2018-02-15 US disclosed
CN-103554089-B Diheterocyclic compound as well as synthesis method and application thereof UNIV HEILONGJIANG 2015-04-08 CN disclosed
CN-103554089-A Diheterocyclic compound as well as synthesis method and application thereof UNIV HEILONGJIANG 2014-02-05 CN disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-20050209106-A1 Substituted 4-(4-trifluoromethylpyrazolyl)pyrimidines BAYER CROPSCIENCE GMBH (DE) 2005-09-22 US disclosed
EP-0819690-B1 Herbicidal 6-thienyl and 4-thienyl pyrimidines BASF AG (DE) 2002-10-09 EP disclosed
US-6107487-A FREE OF WATER-SOLUBILIZING GROUPS; SUITABLE FOR THERMAL DYE TRANSFER AND FOR DYEING AND PRINTING SYNTHETIC MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
US-5922726-A Herbicidal 6-thienyl pyridines and 4-thienyl pyrimidines AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
EP-0902026-A1 Herbicidal 2-azinyl-6-aryloxypyr (mi) dines American Cyanamid Company (US) 1999-03-17 EP disclosed
US-5750550-A RESPIRATORY SYSTEM DISORDERS SANOFI (FR) 1998-05-12 US disclosed
US-5747423-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1998-05-05 US disclosed
EP-0819690-A2 Herbicidal 6-thienyl and 4-thienyl pyrimidines American Cyanamid Company (US) 1998-01-21 EP disclosed
WO-1997010243-A1 2-(PYRAZOL-5-YL-OXYMETHYL)-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (US) 1997-03-20 WO disclosed
EP-0661278-A1 Blocked polyisocyanates RHONE-POULENC CHIMIE (FR) 1995-07-05 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 (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-20050209106-A1 Substituted 4-(4-trifluoromethylpyrazolyl)pyrimidines CYP4X1, DDT, CYP4F3 L3MBTL1 1446/4885RECQL 122/4885KDM4E 748/4885

“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.