SCHEMBL5746326

SCHEMBL5746326

N#CCCNN(Cl)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE2A O00408 1/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ACACB O00763 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KIF11 P52732 1/20 0.31
HTR2A P28223 2/20 0.31
SLC6A4 P31645 2/20 0.31
KCNH2 Q12809 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
SCHEMBL5701320 0.75 MRGPRX4 (0.34) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL5746321 0.70 GAA (0.34) MRGPRX4ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL5744940 0.69 MRGPRX4 (0.37) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL5795159 0.69 TRPV4 (0.52) MRGPRX4
Hydrochloric Acid SCHEMBL6578636 0.68 GAA (0.33) MRGPRX4KDM4E
SCHEMBL5743667 0.68 ALDH1A1 (0.34) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL5747289 0.67 PDE2A (0.35) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL9145901 0.66 MRGPRX4 (0.59) MRGPRX4
SCHEMBL1768930 0.66 PDE2A (0.49) MRGPRX4ALDH1A1HTTPDE2ANR1H2
SCHEMBL4961852 0.65 MRGPRX4 (0.47) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A

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 10 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
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-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 3068/4885HTT 3819/4885
US-20020128485-A1 Processes for preparing pesticidal intermediates CBR3, HCN1, SF3A3 MRGPRX4 1583/4885ALDH1A1 2835/4885HTT 3475/4885

“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.