SCHEMBL1685609

SCHEMBL1685609

CN(C)C(=O)c1cn[nH]c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
TIPARP Q7Z3E1 1/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
ALPL P05186 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
SPR P35270 1/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
KEAP1 Q14145 1/20 0.31
MAP4K1 Q92918 1/20 0.31
PKN1 Q16512 1/20 0.31
PKN2 Q16513 1/20 0.31
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18183888 0.78 MEN1 (0.39) TSHRTIPARPMAPK1KMT2AMEN1
SCHEMBL31043688 0.75
SCHEMBL20553499 0.75
SCHEMBL1992513 0.73 GAA (0.44) TSHRKMT2AMEN1ALDH1A1ROCK2
SCHEMBL25153707 0.73 TSHR (0.34) TSHRTIPARPMAPK1KMT2AMEN1
SCHEMBL29063834 0.68 ROCK1 (0.41) TSHRTIPARPMAPK1KMT2AMEN1
SCHEMBL29712599 0.67 PLK4 (0.64) TSHRTIPARPKMT2AMEN1SMN1; SMN2
SCHEMBL18937563 0.67 PLK4 (0.64) TSHRTIPARPKMT2AMEN1SMN1; SMN2
SCHEMBL23798534 0.67 PDPK1 (0.38) TSHRMAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL23629248 0.66 MEN1 (0.35) MAPK1KMT2AMEN1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11076600-B2 Mixtures of cis-jasmone and bacillus amyloliquefaciens BASF SE (DE) 2021-08-03 US disclosed
US-20180317498-A1 Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens BASF SE (DE) 2018-11-08 US disclosed
US-10076119-B2 Pesticidal mixtures BASF CORPORATION (US) 2018-09-18 US disclosed
US-9993003-B2 2018-06-12 US disclosed
CN-104378980-B Comprise the emulsifiable concentrate of pesticide, amide, carbonic ester and hydrocarbon 巴斯夫欧洲公司 2016-08-24 CN disclosed
US-20160100585-A1 Pesticidal Mixtures BASF CORPORATION (US) 2016-04-14 US disclosed
US-20150327556-A1 Pesticidal Mixtures BASF SE (DE) 2015-11-19 US disclosed
US-20150296801-A1 PESTICIDAL MIXTURES BASF SE (DE) 2015-10-22 US disclosed
US-8871679-B2 Fungicidal mixtures comprising substituted 1-methylpyrazol-4-ylcarboxanilides BASF SE (DE) 2014-10-28 US disclosed
US-20110098176-A1 Fungicidal Mixtures Comprising Substituted 1-methylpyrazol-4-ylcarboxanilides BASF SE (DE) 2011-04-28 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 (3 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-11076600-B2 Mixtures of cis-jasmone and bacillus amyloliquefaciens BAX, FASN, BAK1 TSHR 3364/4885TIPARP 1783/4885MAPK1 3398/4885
US-20110098176-A1 Fungicidal Mixtures Comprising Substituted 1-methylpyrazol-4-ylcarboxanilides CBR3, CYC1, PIK3C3 TSHR 2298/4885TIPARP 1543/4885MAPK1 1231/4885
US-20180317498-A1 Mixtures of Cis-Jasmone and Bacillus Amyloliquefaciens BAX, FASN, BAK1 TSHR 3364/4885TIPARP 1783/4885MAPK1 3398/4885

“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.