SCHEMBL18335087

SCHEMBL18335087

N#CC(F)(F)c1ncc(Br)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 1/20 0.37
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL16654936 0.83 PLAU (0.35) PLAUCYP3A4CYP2C19GAAALDH1A1
SCHEMBL21994706 0.80 PLAU (0.40) PLAUALDH1A1MAPT
SCHEMBL15674757 0.80 PLAU (0.42) PLAUALDH1A1MAPT
SCHEMBL18335140 0.79 PLAU (0.37) PLAUALDH1A1MAPT
SCHEMBL16654525 0.77 PLAU (0.40) PLAUALDH1A1MAPT
SCHEMBL29268175 0.77 PLAU (0.40) PLAUALDH1A1MAPT
SCHEMBL29989503 0.77 PLAU (0.40) PLAUALDH1A1MAPT
SCHEMBL25195217 0.72 PLAU (0.37) PLAUALDH1A1MAPTL3MBTL1
SCHEMBL16540711 0.72 PLAU (0.40) PLAU
SCHEMBL16552187 0.72 PLAU (0.40) PLAUGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-24 — — US disclosed
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-12 — — US disclosed
EP-3109234-A1 ALKYNYLPYRIDINE-SUBSTITUTED AMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2016-12-28 — — EP 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-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide CHRM1, CHRM2, CHRM3 PLAU 4881/4885CYP3A4 173/4885CYP2C19 117/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 PLAU 4881/4885CYP3A4 173/4885CYP2C19 117/4885

“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.

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