SCHEMBL24985138

SCHEMBL24985138

COC(=O)c1nc(-c2ccc3c(c2)C(F)(F)OC(F)(F)O3)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
KDM4E B2RXH2 4/20 0.36
PKM P14618 2/20 0.36
RCE1 Q9Y256 1/20 0.36
NOTUM Q6P988 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CFTR P13569 1/20 0.33
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 3/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL30185309 1.00 KIF11 (0.42) KIF11KDM4EPKMRCE1NOTUM
SCHEMBL24985654 0.93 KIF11 (0.43) KIF11KDM4EPKMRCE1NOTUM
SCHEMBL30185121 0.93 KIF11 (0.43) KIF11KDM4EPKMRCE1NOTUM
SCHEMBL30185115 0.87 SCN9A (0.42) KIF11KDM4EPKMRCE1NOTUM
SCHEMBL24985681 0.87 SCN9A (0.42) KIF11KDM4EPKMRCE1NOTUM
SCHEMBL24986563 0.85 KIF11 (0.43) KIF11KDM4EPKMRCE1NOTUM
SCHEMBL24985170 0.78 KDM4E (0.33) KDM4EPKMRCE1NOTUMSMN1; SMN2
SCHEMBL30185224 0.78 KDM4E (0.33) KDM4EPKMRCE1NOTUMSMN1; SMN2
SCHEMBL30185184 0.76 STIM1 (0.35) KDM4EPKMRCE1SMN1; SMN2ALDH1A1
SCHEMBL30185085 0.76 P2RX7 (0.35) KDM4EPKMRCE1SMN1; SMN2ALDH1A1

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 KIF11 3021/4885KDM4E 1143/4885PKM 1121/4885

“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.