SCHEMBL7578701

SCHEMBL7578701

CCOC(=O)/C(Cl)=C/c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl.CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
Bispyribac SCHEMBL7589005 0.92 NPSR1 (0.36) NPSR1
Pyrithiobac SCHEMBL7580917 0.80
3,6 Dichloromethoxybenzoic Acid SCHEMBL7582008 0.77 ALDH1A1 (0.41) NPSR1ALDH1A1
SCHEMBL5467830 0.77 MAPT (0.37) ALDH1A1
SCHEMBL39177 0.77 MAPT (0.37) ALDH1A1
Clopyralid SCHEMBL7579092 0.75 KMT2A (0.32) NPSR1CYP2C9CYP2C19ATMALDH1A1
SCHEMBL7580050 0.74 MAPT (0.31) NPSR1ALDH1A1
Flumiciorac-Pentyl SCHEMBL7586513 0.74 PPOX (0.39) NPSR1
SCHEMBL24925652 0.73 CYP1A2 (0.48) NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL117724 0.73 CYP1A2 (0.48) NPSR1CYP1A2CYP2C9CYP2C19ALDH1A1

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-20020004457-A1 Herbicidal composition SYNGENTA PARTICIPATIONS AG (CH) 2002-01-10 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-20020004457-A1 Herbicidal composition PPOX, ALAD, DDT NPSR1 4306/4885CYP1A2 47/4885CYP2C9 20/4885

“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.