SCHEMBL3789241

SCHEMBL3789241

COc1nc(OC)nc(N(C(=O)O)C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSK P43235 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL9027723 0.81 CYP1A2 (0.44) CYP1A2GAALMNATDP1ALDH1A1
SCHEMBL7953014 0.71 GAA (0.39) CYP1A2GAALMNATDP1ALDH1A1
SCHEMBL33145 0.69 ALDH1A1 (0.43) CYP1A2LMNATDP1ALDH1A1TSHR
SCHEMBL1109013 0.65 NPSR1 (0.42) CYP1A2GAALMNATDP1ALDH1A1
SCHEMBL7031311 0.65 MAPT (0.46) CYP1A2GAALMNATDP1ALDH1A1
SCHEMBL11037206 0.65 CYP1A2 (0.38) CYP1A2GAAALDH1A1TSHRATM
SCHEMBL1531434 0.63 LMNA (0.36) CYP1A2LMNATDP1ALDH1A1TSHR
SCHEMBL9371729 0.63 LMNA (0.38) CYP1A2LMNATDP1MAPTHTT
SCHEMBL4248422 0.62 LMNA (0.46) LMNATDP1ALDH1A1TSHRL3MBTL1
SCHEMBL29164540 0.62 TDP1 (0.46) CYP1A2LMNATDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS BAYER CROPSCIENCE AG (DE) 2010-11-04 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 (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-20100279863-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULFONYLUREAS DDT, AZI2, PDXK CYP1A2 439/4885GAA 444/4885LMNA 4347/4885

“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.