Butachlor

Butachlor

SCHEMBL895762

CCC(=O)Nc1ccc(Cl)c(Cl)c1.CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC

nearest known ligand 0.69

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
TDP1 Q9NUW8 2/20 0.69
CYP3A4 P08684 2/20 0.50
NR1I2 O75469 1/20 0.50
TP53 P04637 2/20 0.48
ALDH1A1 P00352 4/20 0.47
ESRRA P11474 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38

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
Butachlor SCHEMBL65784 0.83 TDP1 (1.00) MEN1KMT2ATDP1CYP3A4NR1I2
Butachlor SCHEMBL4891145 0.83 TDP1 (1.00) MEN1KMT2ATDP1CYP3A4NR1I2
Butachlor SCHEMBL8167808 0.82 KMT2A (0.77) MEN1KMT2ATDP1CYP3A4NR1I2
Butachlor SCHEMBL11052762 0.79 TDP1 (0.90) MEN1KMT2ATDP1CYP3A4NR1I2
Butachlor SCHEMBL8846427 0.78 TDP1 (0.84) MEN1KMT2ATDP1CYP3A4NR1I2
Butachlor SCHEMBL17110610 0.78 TDP1 (0.88) MEN1KMT2ATDP1CYP3A4NR1I2
SCHEMBL10780632 0.77 KMT2A (0.81) MEN1KMT2ATDP1CYP3A4NR1I2
SCHEMBL9614001 0.76 TDP1 (0.85) MEN1KMT2ATDP1CYP3A4NR1I2
Butachlor SCHEMBL23242441 0.76 TDP1 (0.84) MEN1KMT2ATDP1CYP3A4NR1I2
SCHEMBL8734929 0.75 NR1I2 (0.85) MEN1KMT2ATDP1CYP3A4NR1I2

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-20120083463-A1 Insecticidal and Fungicidal Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2012-04-05 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-20120083463-A1 Insecticidal and Fungicidal Active Compound Combinations DDT, ACHE, CYP4B1 MEN1 1711/4885KMT2A 775/4885TDP1 3804/4885

“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.