SCHEMBL3544638

SCHEMBL3544638

CNc1n[c]nc(OC)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
PDE4A P27815 1/20 0.35
PDE7A Q13946 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 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
SCHEMBL187430 0.78 MEN1 (0.35) ALDH1A1TSHR
SCHEMBL8027740 0.78 MEN1 (0.43) SMN1; SMN2CYP1A2POLBLMNA
SCHEMBL33144 0.74 MAPK1 (0.52) SMN1; SMN2MAPK1PDE4APDE7ACYP1A2
SCHEMBL33148 0.74 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1PDE4APDE7ACYP1A2
SCHEMBL27796166 0.70
SCHEMBL397682 0.70
SCHEMBL6547290 0.68
SCHEMBL6262981 0.68
SCHEMBL4651689 0.68
SCHEMBL4649893 0.68

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-4889553-A Herbicides SCHERING AGROCHEMICALS (GB) 1989-12-26 US claimed
EP-0246749-A2 Triazole herbicides AgrEvo UK Limited (GB) 1987-11-25 EP claimed
US-7741485-B2 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds BASF AKTIENGESELLSCHAFT (DE) 2010-06-22 US disclosed
US-20060211577-A1 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 US disclosed
US-4889553-A Herbicides SCHERING AGROCHEMICALS (GB) 1989-12-26 US disclosed
EP-0246749-A2 Triazole herbicides AgrEvo UK Limited (GB) 1987-11-25 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 (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-20060211577-A1 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds CBR3, CBR1, CNPY2 SMN1; SMN2 3870/4885MAPK1 3998/4885PDE4A 3640/4885

“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.