SCHEMBL5744932

SCHEMBL5744932

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.34
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 4/20 0.32
GAA P10253 4/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KDM4E B2RXH2 5/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
OPRK1 P41145 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SRC P12931 1/20 0.31
BRAF P15056 1/20 0.31
KDR P35968 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
SCHEMBL5744936 1.00 MRGPRX4 (0.34) MRGPRX4ALDH1A1HPGDMAPTGAA
SCHEMBL5743812 0.81 ALDH1A1 (0.42) MRGPRX4ALDH1A1HPGDMAPTKDM4E
SCHEMBL5743809 0.81 ALDH1A1 (0.42) MRGPRX4ALDH1A1HPGDMAPTKDM4E
SCHEMBL10569762 0.76 SRC (0.35) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL9704751 0.73 KDM4E (0.36) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL9704756 0.73 KDM4E (0.36) ALDH1A1HPGDMAPTGAAKDM4E
SCHEMBL18738531 0.72 MRGPRX4 (0.37) MRGPRX4ALDH1A1GAAKDM4EHTT
SCHEMBL3326397 0.72 GAA (0.37) MRGPRX4ALDH1A1MAPTGAAKDM4E
SCHEMBL5743661 0.72 GAA (0.37) MRGPRX4ALDH1A1MAPTGAAKDM4E
SCHEMBL9768328 0.72 KDM4E (0.35) ALDH1A1HPGDMAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0952144-B1 Processes for preparing pesticidal intermediates BAYER AGRICULTURE LTD (GB) 2003-06-18 EP disclosed
US-20020128485-A1 Processes for preparing pesticidal intermediates MERIAL LIMITED 2002-09-12 US disclosed
US-6392081-B1 REACTING A NITRILE COMPOUND CONTAINING ACTAL GROUPS WITH ARYLHYDRAZINE; OXIDATION AVENTIS AGRICULTURE LTD. (GB) 2002-05-21 US disclosed
EP-1073627-A1 PROCESSES FOR PREPARING PESTICIDAL INTERMEDIATES AVENTIS AGRICULTURE LTD. (GB) 2001-02-07 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

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 MRGPRX4 1266/4885ALDH1A1 3068/4885HPGD 2033/4885
US-20020128485-A1 Processes for preparing pesticidal intermediates CBR3, HCN1, SF3A3 MRGPRX4 1583/4885ALDH1A1 2835/4885HPGD 2238/4885

“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.