SCHEMBL3022436

SCHEMBL3022436

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.35
HDAC6 Q9UBN7 2/20 0.32
TACR1 P25103 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
RORC P51449 1/20 0.32
DPP4 P27487 1/20 0.32
CAPN1 P07384 1/20 0.32
AR P10275 1/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
PLA2G7 Q13093 1/20 0.31
CES2 O00748 1/20 0.31
MMP2 P08253 2/20 0.30
RIPK1 Q13546 1/20 0.30
PLA2G10 O15496 1/20 0.30
PLA2G5 P39877 1/20 0.30
ACHE P22303 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
SCHEMBL3022438 1.00 GFER (0.35) GFERHDAC6TACR1IDO1TDO2
SCHEMBL3026414 0.93 CAPN1 (0.33) CAPN1
SCHEMBL3026418 0.93 CAPN1 (0.33) CAPN1
SCHEMBL3015019 0.89 GFER (0.35) GFERHDAC6CAPN1ARPLA2G7
SCHEMBL4237905 0.89 GFER (0.35) GFERHDAC6CAPN1ARPLA2G7
SCHEMBL3015021 0.89 GFER (0.35) GFERHDAC6CAPN1ARPLA2G7
SCHEMBL3026764 0.86 ACHE (0.36) GFERMMP1MMP3MMP9ACHE
SCHEMBL3021565 0.86 GFER (0.34) GFERHDAC6DPP4CAPN1AR
SCHEMBL3021562 0.86 GFER (0.34) GFERHDAC6DPP4CAPN1AR
SCHEMBL3026763 0.86 ACHE (0.36) GFERMMP1MMP3MMP9ACHE

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 47/4885HDAC6 3120/4885TACR1 2586/4885

“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.