SCHEMBL24985709

SCHEMBL24985709

COC(=O)c1nc(-c2ccc(C(F)(F)F)c(Cl)c2)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
NOTUM Q6P988 4/20 0.48
TRPV3 Q8NET8 1/20 0.46
KDM4E B2RXH2 3/20 0.44
PKM P14618 1/20 0.44
RCE1 Q9Y256 1/20 0.44
EIF4E P06730 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN9A Q15858 2/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
FAAH O00519 2/20 0.39
CFTR P13569 1/20 0.38

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
SCHEMBL30185185 1.00 KMO (0.53) KMONOTUMTRPV3KDM4EPKM
SCHEMBL30185108 0.90 CYP11B2 (0.47) KMONOTUMTRPV3KDM4EPKM
SCHEMBL30185181 0.90 NOTUM (0.46) KMONOTUMTRPV3KDM4EPKM
SCHEMBL24987946 0.90 CYP11B2 (0.47) KMONOTUMTRPV3KDM4EPKM
SCHEMBL24984484 0.90 NOTUM (0.46) KMONOTUMTRPV3KDM4EPKM
SCHEMBL24987934 0.89 NOTUM (0.46) KMONOTUMKDM4EPKMRCE1
SCHEMBL22366884 0.89 NOTUM (0.46) KMONOTUMTRPV3KDM4EPKM
SCHEMBL30185101 0.89 NOTUM (0.46) KMONOTUMKDM4EPKMRCE1
SCHEMBL30185158 0.89 NOTUM (0.46) KMONOTUMTRPV3KDM4EPKM
SCHEMBL24985736 0.84 KMO (0.64) KMONOTUMTRPV3EIF4EFAAH

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 KMO 500/4885NOTUM 993/4885TRPV3 3090/4885

“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.