SCHEMBL3022091

SCHEMBL3022091

CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)/C1=C/c1c(F)cccc1C#N

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.32
ELANE P08246 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
NR3C1 P04150 1/20 0.30
HTR7 P34969 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
SCHEMBL3022092 1.00 PGR (0.32) PGRELANEGRIA2GRIA4NR3C1
SCHEMBL3017928 0.93 LMNA (0.33)
SCHEMBL3017925 0.93 LMNA (0.33)
SCHEMBL3795534 0.93 ELANE (0.34) ELANEGRIA2GRIA4NR3C1HTR7
SCHEMBL3795535 0.93 ELANE (0.34) ELANEGRIA2GRIA4NR3C1HTR7
SCHEMBL3022425 0.89 PLA2G7 (0.31) PGRELANE
SCHEMBL3022429 0.89 PLA2G7 (0.31) PGRELANE
SCHEMBL3015521 0.89 KDM4E (0.32) ELANENR3C1HTR7
SCHEMBL3800288 0.88 ITGB2 (0.33) ELANENR3C1
SCHEMBL3800289 0.88 ITGB2 (0.33) ELANENR3C1

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 4 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
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 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 (2 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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 PGR 3309/4885ELANE 3135/4885GRIA2 1529/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR PGR 2192/4885ELANE 4638/4885GRIA2 2236/4885

“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.