SCHEMBL24985366

SCHEMBL24985366

COC(=O)c1nc(-c2ccc3c(c2)OC(F)(F)O3)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
PKM P14618 2/20 0.42
RCE1 Q9Y256 1/20 0.42
NOTUM Q6P988 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CFTR P13569 2/20 0.38
POLQ O75417 1/20 0.38
BRAF P15056 1/20 0.38
KIF11 P52732 1/20 0.38
CSNK1E P49674 1/20 0.37
SCD5 Q86SK9 1/20 0.37
SCN9A Q15858 1/20 0.37
ALDH1A1 P00352 3/20 0.37

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
SCHEMBL24986563 0.87 KIF11 (0.43) KDM4EPKMRCE1NOTUML3MBTL1
SCHEMBL30185317 0.85 STIM1 (0.44) KDM4EPKMRCE1NOTUML3MBTL1
SCHEMBL24987912 0.85 STIM1 (0.44) KDM4EPKMRCE1NOTUML3MBTL1
SCHEMBL24985260 0.84 KDM4E (0.37) KDM4EPKMRCE1NOTUML3MBTL1
SCHEMBL30185299 0.84 KDM4E (0.37) KDM4EPKMRCE1NOTUML3MBTL1
SCHEMBL30185162 0.83 STIM1 (0.41) KDM4EPKMRCE1NOTUMCSNK1E
SCHEMBL24986812 0.83 STIM1 (0.41) KDM4EPKMRCE1NOTUMCSNK1E
SCHEMBL24986650 0.82 CSNK1E (0.38) KDM4EPKMRCE1NOTUMNPC1
SCHEMBL24985681 0.82 SCN9A (0.42) KDM4EPKMRCE1NOTUML3MBTL1
SCHEMBL30185115 0.82 SCN9A (0.42) KDM4EPKMRCE1NOTUML3MBTL1

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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT KDM4E 1143/4885PKM 1121/4885RCE1 2548/4885

“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.