SCHEMBL7581301

SCHEMBL7581301

CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1.C[C@H](OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 4/20 0.36
FFAR1 O14842 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
PYGL P06737 1/20 0.34
PYGM P11217 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
PPARG P37231 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
SCHEMBL7581788 0.92 KDM4E (0.36) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Lactofen SCHEMBL7584911 0.88 TDP1 (0.46) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
SCHEMBL7582061 0.88 MEN1 (0.37) ALDH1A1KDM4ENPC1MAPTMEN1
Primisulfuron SCHEMBL7578606 0.86 MEN1 (0.38) KDM4EMAPTMEN1TTRPPOX
Acifluorfen SCHEMBL7581727 0.86 TDP1 (0.55) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Oxyfluorfen SCHEMBL7584695 0.84 MEN1 (0.49) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Chlorimuron Ethyl SCHEMBL7582578 0.84 MRGPRX4 (0.36) ALDH1A1KDM4ENPC1MAPTMEN1
SCHEMBL7584451 0.83 PPARG (0.38) ALDH1A1KDM4ENPC1MAPTMEN1
Fomesafen SCHEMBL7586632 0.83 TDP1 (0.49) ALDH1A1KDM4ENPC1MAPTSMN1; SMN2
Chlorsulfuron SCHEMBL7578067 0.83 KDM4E (0.38) ALDH1A1KDM4ENPC1MAPTMEN1

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 ALDH1A1 812/4885KDM4E 1886/4885NPC1 4238/4885

“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.