SCHEMBL11903070

SCHEMBL11903070

COc1c(Cl)ccc(-c2nc3c(c(C(=O)O)n2)NC(c2ccccc2)C(c2ccccc2)N3)c1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ ACLY P53396 3/20 0.32
▸ KIF11 P52732 1/20 0.31
▸ SUCNR1 Q9BXA5 1/20 0.31
▸ MEP1B Q16820 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL11902671 0.92 NOS1 (0.36) NOS1ALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL11903420 0.88 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL11918004 0.85 NOS1 (0.34) NOS1KIF11
SCHEMBL11902935 0.83 TAS1R3 (0.35) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL11903434 0.78 TAS1R3 (0.34) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL16712267 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL119850 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL13075707 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL1397100 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL119198 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1

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 780/4885ALDH1A1 718/4885KDM4E 3599/4885

“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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