SCHEMBL11902671

SCHEMBL11902671

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc2c1NC(c1ccccc1)C(c1ccccc1)N2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.36
▸ ACLY P53396 5/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.33
▸ TAS1R1 Q7RTX1 2/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ MEP1B Q16820 1/20 0.32
▸ SUCNR1 Q9BXA5 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL11903070 0.92 NOS1 (0.35) NOS1ACLYTAS1R3TAS1R1TAS1R2
SCHEMBL11903434 0.87 TAS1R3 (0.34) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL11918004 0.83 NOS1 (0.34) NOS1KIF11
SCHEMBL1653944 0.81 ACLY (0.35) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL11903420 0.80 ALDH1A1 (0.37) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL11902935 0.76 TAS1R3 (0.35) TAS1R3TAS1R1TAS1R2MEP1BSUCNR1
SCHEMBL117789 0.76 TAS1R3 (0.40) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL1115268 0.74 TAS1R3 (0.39) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL1654712 0.74 MEP1B (0.38) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL716664 0.74 TAS1R3 (0.38) ACLYTAS1R3TAS1R1TAS1R2MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO NOS1 780/4885ACLY 537/4885TAS1R3 4361/4885

“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.

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