SCHEMBL11030232

SCHEMBL11030232

COC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1/C=C/[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 2/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 3/20 0.39
DHODH Q02127 1/20 0.39
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TP53 P04637 2/20 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
SCHEMBL11030238 1.00 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL11029502 0.90 DHODH (0.35) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL11029506 0.90 DHODH (0.35) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL3784946 0.88 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL11028739 0.88 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL11028735 0.88 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL1917106 0.85 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL11024150 0.83 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL11024145 0.83 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM
SCHEMBL2466877 0.83 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2L3MBTL1PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658568-B2 6-amino-2-substituted-5-vinylsilylpyrimidine-4-carboxylic acids and esters and 4-amino-6-substituted-3-vinylsilylpyridine-2-carboxylic acids and esters as herbicides DOW AGROSCIENCES, LLC. (US) 2014-02-25 US disclosed
US-8658568-B2 6-amino-2-substituted-5-vinylsilylpyrimidine-4-carboxylic acids and esters and 4-amino-6-substituted-3-vinylsilylpyridine-2-carboxylic acids and esters as herbicides DOW AGROSCIENCES, LLC. (US) 2014-02-25 US disclosed
US-8658568-B2 6-amino-2-substituted-5-vinylsilylpyrimidine-4-carboxylic acids and esters and 4-amino-6-substituted-3-vinylsilylpyridine-2-carboxylic acids and esters as herbicides DOW AGROSCIENCES, LLC. (US) 2014-02-25 US disclosed
US-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-07-26 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-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DDT, PFAS, WEE2 KDM4E 130/4885ALDH1A1 873/4885SMN1; SMN2 2344/4885

“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.