SCHEMBL2835169

SCHEMBL2835169

NNc1c(F)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 1/20 0.38
KIF11 P52732 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
GAA P10253 2/20 0.33
PLAU P00749 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33

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
SCHEMBL241686 0.88 ALDH1A1 (0.42) ALDH1A1MAPTKIF11GAAPLAU
Hydrochloric Acid SCHEMBL5745583 0.86 ALDH1A1 (0.41) ALDH1A1MAPTGAAPLAUKDM4E
SCHEMBL2000670 0.86 KIF11 (0.40) KIF11GAARAPGEF4PDE2AIDO1
SCHEMBL11674968 0.81 ALDH1A1 (0.38) ALDH1A1MAPTGAAPLAUKDM4E
SCHEMBL18593305 0.81 RAPGEF4 (0.46) ALDH1A1MAPTGAASMN1; SMN2CYP3A4
SCHEMBL7718354 0.74 TLR7 (0.37) ALDH1A1MAPTTLR7GAAKDM4E
SCHEMBL2790205 0.74 CA1 (0.46) ALDH1A1MAPTTLR7PLAUKDM4E
SCHEMBL11582853 0.73 ALDH1A1 (0.60) ALDH1A1MAPTGAAKDM4EPOLB
SCHEMBL3300842 0.73 ALDH1A1 (0.41) ALDH1A1TLR7GAAPLAUKDM4E
SCHEMBL1531168 0.73 PDE2A (0.37) ALDH1A1TLR7PLAUKDM4EPOLB

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-104334534-B Improved process for preparing 1-aryl-5-alkylpyrazole compounds 勃林格殷格翰动物保健美国公司 2020-01-10 CN disclosed
EP-3184510-B1 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL INC (US) 2019-06-12 EP disclosed
EP-3184510-A1 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS Merial, Inc. (US) 2017-06-28 EP disclosed
EP-2852577-B1 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL INC (US) 2017-03-01 EP disclosed
EP-2852577-B1 IMPROVED PROCESSES FOR THE PREPARATION OF 1-ARYL-5-ALKYL PYRAZOLE COMPOUNDS MERIAL INC (US) 2017-03-01 EP disclosed
US-9339033-B2 1-aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL, INC. (US) 2016-05-17 US disclosed
US-9273007-B2 Processes for the preparation of 1-aryl-5-alkyl pyrazole compounds MERIAL, INC. (US) 2016-03-01 US disclosed
US-9273007-B2 Processes for the preparation of 1-aryl-5-alkyl pyrazole compounds MERIAL, INC. (US) 2016-03-01 US disclosed
US-9273007-B2 Processes for the preparation of 1-aryl-5-alkyl pyrazole compounds MERIAL, INC. (US) 2016-03-01 US disclosed
EP-2035390-B1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL INC (US) 2015-12-09 EP disclosed
EP-2035390-A2 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF Aventis Agriculture (FR) 2009-03-18 EP disclosed
US-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof MERIAL, INC. 2008-02-07 US disclosed
WO-2008005489-A2 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF AVENTIS AGRICULTURE (FR) 2008-01-10 WO disclosed
EP-1293501-B1 Substituted 1-aryl-pyrazoles and their use as pesticides BAYER CROPSCIENCE AG (DE) 2006-05-10 EP disclosed
EP-0659745-B1 Substituted 1-aryl pyrazoles BAYER CROPSCIENCE AG (DE) 2005-07-27 EP disclosed
EP-1293501-A1 Substituted 1-aryl-pyrazoles and their use as pesticides Bayer CropScience AG (DE) 2003-03-19 EP disclosed
US-RE37495-E1 Substituted 1-arylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 2002-01-01 US disclosed
US-5580843-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
EP-0659745-A1 Substituted 1-aryl pyrazoles BAYER AG (DE) 1995-06-28 EP disclosed
US-4936892-A HERBICIDES; PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-06-26 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 (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-20080031902-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof CBR3, CBR1, NR5A2 ALDH1A1 3749/4885MAPT 4885/4885KIF11 1111/4885

“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.