SCHEMBL27045873

SCHEMBL27045873

COCc1cc(C(O)OC)ccn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ RXRA P19793 14/20 0.34
▸ GRIN1 Q05586 14/20 0.34
▸ GRIN2B Q13224 14/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ BACE1 P56817 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ KCNT1 Q5JUK3 1/20 0.30
▸ LNPEP Q9UIQ6 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
SCHEMBL29306465 0.86 RXRA (0.33) KDM5AKDM5BRXRAGRIN1GRIN2B
SCHEMBL18458866 0.82 KDM5A (0.31) KDM5AKDM5B
SCHEMBL11994362 0.81 RXRA (0.40) RXRAGRIN1GRIN2BNOS3NOS1
SCHEMBL21098120 0.75 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL19633231 0.75 UHRF1 (0.43) —
SCHEMBL19992429 0.74 LOX (0.44) NOS3NOS1NOS2
SCHEMBL28056162 0.72 MAOA (0.44) KDM5AKDM5BNOS3NOS1NOS2
SCHEMBL827951 0.71 SYK (0.48) RXRAGRIN1GRIN2BNOS3NOS1
SCHEMBL12409018 0.70 SIRT2 (0.43) NOS3NOS1NOS2
SCHEMBL23727271 0.70 LOXL2 (0.41) NOTUM

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-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 — — 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-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM KDM5A 250/4885KDM5B 377/4885RXRA 3496/4885

“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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