SCHEMBL24409809

SCHEMBL24409809

COC(=O)COc1nc(-c2ccnc(F)c2)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
GRM5 P41594 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SYK P43405 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
PDE10A Q9Y233 2/20 0.36
PDE2A O00408 1/20 0.36
ROCK1 Q13464 3/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
DYRK1A Q13627 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL24406756 0.90 KDM4E (0.39) KDM4EPOLBMAPK1SMN1; SMN2TSHR
SCHEMBL26940244 0.88 KDM4E (0.38) MMP1MMP9MMP8KDM4EPOLB
SCHEMBL24409723 0.88 PKM (0.40) KDM4EGRM5MAPK1SYKMALT1
SCHEMBL26938559 0.86 MMP1 (0.40) MMP1MMP9MMP8KDM4EPOLB
SCHEMBL24406718 0.84 LMNA (0.43) MMP1MMP9MMP8KDM4EPOLB
SCHEMBL23447240 0.84 MALT1 (0.48) MMP1MMP9MMP8KDM4EPOLB
SCHEMBL24407583 0.83 ALDH1A1 (0.45) MMP1MMP9MMP8KDM4EPOLB
SCHEMBL23448449 0.83 MMP1 (0.40) MMP1MMP9MMP8KDM4EPOLB
SCHEMBL24406721 0.82 MAPK1 (0.40) MMP1MMP9MMP8KDM4EPOLB
SCHEMBL24407590 0.82 KDM4E (0.48) MMP1MMP9MMP8KDM4EPOLB

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-20230397604-A1 [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGELLSCHAFT (DE) 2023-12-14 US disclosed
WO-2022096449-A1 [(1,5-DIHETEROARYL-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO 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-20230397604-A1 [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS CYP4Z1, CYP2W1, HACL2 MMP1 2691/4885MMP9 4199/4885MMP8 4705/4885

“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.