SCHEMBL5743809

SCHEMBL5743809

N#CC/C=N\Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MRGPRX4 Q96LA9 5/20 0.39
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ACHE P22303 1/20 0.35
KIF11 P52732 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5743812 1.00 ALDH1A1 (0.42) ALDH1A1MAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL5744932 0.81 MRGPRX4 (0.34) ALDH1A1MAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL5744936 0.81 MRGPRX4 (0.34) ALDH1A1MAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL10954025 0.75 ALDH1A1 (0.47) ALDH1A1MAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL5744940 0.73 MRGPRX4 (0.37) ALDH1A1HTTSMN1; SMN2MRGPRX4KIF11
SCHEMBL8822870 0.71 ALDH1A1 (0.47) ALDH1A1MAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL8822868 0.71 ALDH1A1 (0.47) ALDH1A1MAPTHTTSMN1; SMN2MRGPRX4
SCHEMBL1768902 0.70 ALDH1A1 (0.54) ALDH1A1MAPTMRGPRX4MEN1KMT2A
SCHEMBL10238280 0.69 ALDH1A1 (0.50) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL11789869 0.69 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECA12CA1

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 6 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-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

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 ALDH1A1 3068/4885MAPT 4852/4885HTT 3819/4885
US-20020128485-A1 Processes for preparing pesticidal intermediates CBR3, HCN1, SF3A3 ALDH1A1 2835/4885MAPT 4862/4885HTT 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.