SCHEMBL3024183

SCHEMBL3024183

CN1C(=O)C(Cc2c(C#N)ccc(F)c2F)N(C)C(=O)C1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.42
AR P10275 3/20 0.37
HDAC6 Q9UBN7 2/20 0.35
TACR1 P25103 1/20 0.35
GFER P55789 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G5 P39877 1/20 0.34
MMP2 P08253 1/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
MDM2 Q00987 2/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CES2 O00748 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
SCHEMBL3031709 0.91 CAPN1 (0.45) CAPN1ARKDM4EMAPTMDM2
SCHEMBL3022057 0.87 CAPN1 (0.43) CAPN1ARHDAC6TACR1GFER
SCHEMBL3026117 0.82 AR (0.33) ARPGRPLA2G7
SCHEMBL3797453 0.81 AR (0.31) ARPGR
SCHEMBL3023698 0.79 CAPN1 (0.42) CAPN1HDAC6TACR1MAPTMMP1
SCHEMBL3015902 0.79 CAPN1 (0.45) CAPN1ARKDM4EMAPTMDM2
SCHEMBL3027870 0.78 CAPN1 (0.41) CAPN1HDAC6TACR1GFERPLA2G10
SCHEMBL3026144 0.77 CAPN1 (0.48) CAPN1ARHDAC6TACR1GFER
SCHEMBL3025212 0.77 GFER (0.34) ARGFERKDM4EMAPTLMNA
SCHEMBL27797603 0.77 CAPN1 (0.40) CAPN1ARHDAC6TACR1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
CN-101677540-A Herbicidally effective composition EIKE HUPE 2010-03-24 CN claimed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP claimed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
CN-101677540-A Herbicidally effective composition EIKE HUPE 2010-03-24 CN disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 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-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR CAPN1 3690/4885AR 4310/4885HDAC6 3120/4885

“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.