SCHEMBL3015019

SCHEMBL3015019

CN1C(=O)C(Cc2ccccc2)N(C)C(=O)/C1=C/c1c(C#N)ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.35
AR P10275 1/20 0.33
S1PR4 O95977 1/20 0.32
PLA2G7 Q13093 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
MMP2 P08253 1/20 0.31
CAPN1 P07384 1/20 0.31
CES2 O00748 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
SCHEMBL4237905 1.00 GFER (0.35) GFERARS1PR4PLA2G7HDAC6
SCHEMBL3015021 1.00 GFER (0.35) GFERARS1PR4PLA2G7HDAC6
SCHEMBL3031096 0.92 CAPN1 (0.33) ARS1PR4CAPN1
SCHEMBL3031099 0.92 CAPN1 (0.33) ARS1PR4CAPN1
SCHEMBL3022436 0.89 GFER (0.35) GFERARPLA2G7HDAC6MMP2
SCHEMBL3022438 0.89 GFER (0.35) GFERARPLA2G7HDAC6MMP2
SCHEMBL3022321 0.85 GFER (0.37) GFERHDAC6MMP2CAPN1CES2
SCHEMBL3022324 0.85 GFER (0.37) GFERHDAC6MMP2CAPN1CES2
SCHEMBL4236373 0.85 GFER (0.37) GFERHDAC6MMP2CAPN1CES2
SCHEMBL3026418 0.82 CAPN1 (0.33) CAPN1

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-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 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-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR GFER 47/4885AR 4310/4885S1PR4 3279/4885

“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.