SCHEMBL5744940

SCHEMBL5744940

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 9/20 0.37
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE2A O00408 4/20 0.33
PDK2 Q15119 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
KIF11 P52732 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
SCHEMBL5743814 0.79 KIF11 (0.38) KIF11
SCHEMBL9704767 0.75 PDE2A (0.37) ALDH1A1PDE2APDK2
SCHEMBL5743667 0.74 ALDH1A1 (0.34) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL9768338 0.74 PDE2A (0.38) MRGPRX4ALDH1A1PDE2APDK2
SCHEMBL5743809 0.73 ALDH1A1 (0.42) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL5743812 0.73 ALDH1A1 (0.42) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL6258555 0.72 PDE2A (0.39) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL9704905 0.72 MAPT (0.39) ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL5746326 0.69 MRGPRX4 (0.36) MRGPRX4ALDH1A1HTTSMN1; SMN2PDE2A
SCHEMBL5744932 0.68 MRGPRX4 (0.34) MRGPRX4ALDH1A1HTTSMN1; SMN2

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 3068/4885HTT 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.