SCHEMBL22059413

SCHEMBL22059413

O=C(NCC(F)(F)F)c1cnc2c(F)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STAMBP O95630 14/20 0.51
PSMD14 O00487 12/20 0.51
COPS5 Q92905 10/20 0.51
ULK1 O75385 3/20 0.45
HPGDS O60760 1/20 0.44

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
SCHEMBL22455577 0.81 PSMD14 (0.72) STAMBPPSMD14COPS5HPGDS
SCHEMBL24093630 0.80 STAMBP (0.44) STAMBPPSMD14COPS5HPGDS
SCHEMBL22455566 0.79 STAMBP (0.62) STAMBPPSMD14COPS5
SCHEMBL29878838 0.76 HDAC6 (0.42) STAMBPPSMD14COPS5HPGDS
SCHEMBL28850620 0.76 HDAC6 (0.42) STAMBPPSMD14COPS5HPGDS
SCHEMBL3372289 0.76 PSMD14 (0.65) STAMBPPSMD14COPS5HPGDS
SCHEMBL20769426 0.76 PIN1 (0.46) STAMBPPSMD14COPS5
SCHEMBL22413921 0.75 STAMBP (0.44) STAMBPPSMD14COPS5HPGDS
SCHEMBL20819589 0.75 STAMBP (0.44) STAMBPPSMD14COPS5HPGDS
SCHEMBL20821492 0.75 PSMD14 (0.48) STAMBPPSMD14COPS5HPGDS

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-11185073-B2 Microbiocidal quinoline (thio)carboxamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-11-30 US disclosed
US-20200170250-A1 MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-06-04 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-20200170250-A1 MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES IFNG, TLR1, IDO1 STAMBP 1536/4885PSMD14 2298/4885COPS5 1862/4885
US-11185073-B2 Microbiocidal quinoline (thio)carboxamide derivatives IFNG, TLR1, IDO1 STAMBP 1536/4885PSMD14 2298/4885COPS5 1862/4885

“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.