SCHEMBL6235988

SCHEMBL6235988

CCc1cc[c]c(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TP53 P04637 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL1776955 0.82 TRPA1 (0.34) TRPA1CYP1A2CYP2A6NOS3NOS1
SCHEMBL9900323 0.80
SCHEMBL27584156 0.80 LOXL2 (0.43)
SCHEMBL27944323 0.80 KIF11 (0.36) PDK2
SCHEMBL28672430 0.80 TRPA1 (0.33) TRPA1CYP1A2CYP2A6NOS3NOS1
SCHEMBL2088594 0.79 FAAH (0.45) TP53HTR2AHTR2C
SCHEMBL27924941 0.77 ALDH1A1 (0.35)
SCHEMBL28802192 0.76
SCHEMBL8939775 0.76 CALM1 (0.43) PDK2
SCHEMBL28009286 0.73 PTPN5 (0.37) HTR2AHTR2B

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903440-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience AG (DE) 2015-08-12 EP claimed
WO-2014053450-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-04-10 WO claimed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
CN-104277004-B Prepare method and its intermediate of pyridazinone compound 住友化学株式会社 2016-08-24 CN disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
WO-2015144652-A2 HETEROCYCLIC COMPOUNDS FOR THE CONTROL OF UNWANTED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2015-10-01 WO disclosed
EP-2903440-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience AG (DE) 2015-08-12 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
WO-2014053450-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-04-10 WO disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2005007612-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 1-(2-TRI- FLUOROMETHYLPHENYL)ETHYLAMINE CENTRAL GLASS COMPANY, LIMITED (JP) 2005-01-27 WO disclosed
CN-1316989-A Optically active substituted N-aryl-o-aryloxyalkyl-carbamates BAYER AG (DE) 2001-10-10 CN disclosed
EP-1115700-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AG (DE) 2001-07-18 EP disclosed
WO-2000017157-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed
EP-0707585-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1996-04-24 EP disclosed
WO-1995001980-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1995-01-19 WO disclosed
US-4476136-A NERVOUS SYSTEM DISORDERS DELALANDE S.A. (FR) 1984-10-09 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TRPA1 3483/4885PDK2 164/4885CYP1A2 36/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 TRPA1 3483/4885PDK2 164/4885CYP1A2 36/4885

“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.