SCHEMBL3326397

SCHEMBL3326397

N#CC/C(C#N)=N\Nc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RAPGEF3 O95398 7/20 0.34
RAPGEF4 Q8WZA2 3/20 0.34
ABCB1 P08183 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 1/20 0.32
GFER P55789 1/20 0.32
PTK2B Q14289 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AR P10275 1/20 0.31
AGPAT2 O15120 1/20 0.31

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
SCHEMBL5743661 1.00 GAA (0.37) GAAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6576619 0.86 GAA (0.31) GAAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6576612 0.83 KDM4E (0.31) GAAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL2758643 0.83 RAPGEF3 (0.32) GAAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6258551 0.78 RAPGEF3 (0.38) GAAALDH1A1SMN1; SMN2MAPTRAPGEF3
SCHEMBL9192973 0.78 ABCB1 (0.45) GAAALDH1A1KDM4EMAPTRAPGEF3
SCHEMBL8445555 0.73 GAA (0.40) GAAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL8445554 0.73 GAA (0.40) GAAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL7744125 0.73 NPSR1 (0.43) GAAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL7744122 0.73 NPSR1 (0.43) GAAALDH1A1SMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258973-B1 OXIDATION RHONE-POULENC AGRO (FR) 2001-07-10 US claimed
US-6084105-A Processes for preparing pesticidal intermediates RHONE-POULENC AGRO (FR) 2000-07-04 US claimed
EP-2443093-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE DERIVATIVES BASF SE (DE) 2013-07-03 EP disclosed
US-8288563-B2 Process for the preparation of pyrazole derivatives BASF SE (DE) 2012-10-16 US disclosed
US-20120004421-A1 Process for the preparation of pyrazole derivatives BASF SE (DE) 2012-01-05 US disclosed
WO-2010105969-A1 PROCESS FOR THE PREPARATION OF PYRAZOLE DERIVATIVES BASF SE (DE) 2010-09-23 WO disclosed
US-7094906-B2 Processes for preparing pesticidal intermediates Basf Agro B.V. Arnthem (NL) Wädenswil-Branch (CH) 2006-08-22 US disclosed
EP-0952145-B1 Process for preparing pesticidal intermediates BASF AGRO BV (CH) 2005-10-05 EP disclosed
EP-1073627-B1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES BAYER AGRICULTURE LTD (GB) 2004-12-01 EP disclosed
US-20040198985-A1 Processes for preparing pesticidal intermediates AVENTIS AGRICULTURE LTD. (GB) 2004-10-07 US disclosed
US-6673956-B2 INTERMEDIATES (PARTICULARLY 2-(ARYLHYDRAZINO)SUCCINONITRILE COMPOUNDS AND 3-(ARYLHYDRAZONO)PROPIONITRILE DERIVATIVES FOR PESTICIDES, BY REACTING DIALKOXYPROPIONITRILE WITH AN ACID ADDITION SALT OF ARYLHYDRAZINE AVENTIS AGRICULTURE LTD. (GB) 2004-01-06 US disclosed
EP-0966445-B1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS CROPSCIENCE SA (FR) 2001-07-25 EP disclosed
US-6258973-B1 OXIDATION RHONE-POULENC AGRO (FR) 2001-07-10 US disclosed
EP-1073627-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS AGRICULTURE LTD. (GB) 2001-02-07 EP disclosed
US-6084105-A Processes for preparing pesticidal intermediates RHONE-POULENC AGRO (FR) 2000-07-04 US disclosed
EP-0966445-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES RHONE-POULENC AGRO (FR) 1999-12-29 EP disclosed
WO-1999054288-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS AGRICULTURE LTD. (GB) 1999-10-28 WO disclosed
EP-0952144-A1 Processes for preparing pesticidal intermediates RHONE-POULENC AGRICULTURE LTD. (GB) 1999-10-27 EP disclosed
EP-0952145-A1 Process for preparing pesticidal intermediates RHONE-POULENC AGRICULTURE LTD. (GB) 1999-10-27 EP disclosed
WO-1998039302-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES RHONE-POULENC AGRO (FR) 1998-09-11 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 (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-20040198985-A1 Processes for preparing pesticidal intermediates SFXN3, SFXN1, CYP4F3 GAA 4661/4885ALDH1A1 3068/4885SMN1; SMN2 3254/4885
US-20120004421-A1 Process for the preparation of pyrazole derivatives CBR3, CBR1, C1S GAA 4822/4885ALDH1A1 1827/4885SMN1; SMN2 4065/4885

“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.