SCHEMBL5701320

SCHEMBL5701320

N#CCC(C#N)NN(Cl)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.34
PDE2A O00408 1/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACACB O00763 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 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
SCHEMBL6576617 0.86
SCHEMBL5747297 0.80 KIF11 (0.39) PDE2A
SCHEMBL5746326 0.75 MRGPRX4 (0.36) MRGPRX4PDE2AMAPTACACBALDH1A1
SCHEMBL5747293 0.74 MAPT (0.40) MRGPRX4PDE2AMAPTMEN1KMT2A
SCHEMBL5747289 0.74 PDE2A (0.35) MRGPRX4PDE2AMAPTMEN1KMT2A
SCHEMBL3326974 0.69 RAPGEF3 (0.34) MRGPRX4MAPTMEN1KMT2AHPGD
SCHEMBL9811175 0.68 PDE2A (0.36) MRGPRX4PDE2AMAPTL3MBTL1ACACB
SCHEMBL5744940 0.67 MRGPRX4 (0.37) MRGPRX4PDE2AALDH1A1HTTSMN1; SMN2
SCHEMBL5743667 0.65 ALDH1A1 (0.34) MRGPRX4PDE2AMAPTALDH1A1HTT
SCHEMBL10954291 0.63 ALDH1A1 (0.39) MRGPRX4PDE2AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1378506-B1 Process for the preparation of phenyl pyrazole compounds BASF AGRO B V ARNHEM NL WAEDEN (CH) 2006-07-26 EP claimed
WO-2004005245-A1 PROCESS FOR THE PREPARATION OF PHENYL PYRAZOLE COMPOUNDS BASF AGRO B.V. ARNHEM (NL) (CH) 2004-01-15 WO claimed
EP-1378506-A1 Process for the preparation of phenyl pyrazole compounds Bayer CropScience S.A. (FR) 2004-01-07 EP claimed
US-6258973-B1 OXIDATION RHONE-POULENC AGRO (FR) 2001-07-10 US claimed
US-7094906-B2 Processes for preparing pesticidal intermediates Basf Agro B.V. Arnthem (NL) Wädenswil-Branch (CH) 2006-08-22 US disclosed
EP-1378506-B1 Process for the preparation of phenyl pyrazole compounds BASF AGRO B V ARNHEM NL WAEDEN (CH) 2006-07-26 EP 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
WO-2004005245-A1 PROCESS FOR THE PREPARATION OF PHENYL PYRAZOLE COMPOUNDS BASF AGRO B.V. ARNHEM (NL) (CH) 2004-01-15 WO disclosed
EP-1378506-A1 Process for the preparation of phenyl pyrazole compounds Bayer CropScience S.A. (FR) 2004-01-07 EP 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
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-0952145-A1 Process for preparing pesticidal intermediates RHONE-POULENC AGRICULTURE LTD. (GB) 1999-10-27 EP disclosed
EP-0952144-A1 Processes 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 (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-20040198985-A1 Processes for preparing pesticidal intermediates SFXN3, SFXN1, CYP4F3 MRGPRX4 1266/4885PDE2A 1250/4885MAPT 4852/4885

“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.