SCHEMBL18335135

SCHEMBL18335135

CC(Cc1ncc(C#CC2CC2)cc1Cl)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.40
▸ ACACB O00763 13/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ PTGES O14684 1/20 0.35

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
SCHEMBL18335062 0.83 EGLN1 (0.41) EGLN1
SCHEMBL18335169 0.82 EGLN1 (0.40) EGLN1IRAK4TRPA1AAK1PTGES
SCHEMBL18335153 0.81 TRPA1 (0.36) EGLN1IRAK4TRPA1AAK1PTGES
SCHEMBL18335145 0.80 NR3C1 (0.35) EGLN1IRAK4TRPA1AAK1PTGES
SCHEMBL18335078 0.79 EGLN1 (0.39) EGLN1ACACBIRAK4PTGES
SCHEMBL18335113 0.77 AAK1 (0.50) TRPA1AAK1
SCHEMBL18335102 0.77 EGLN1 (0.41) EGLN1ACACBIRAK4PTGES
SCHEMBL18335162 0.76 ACACB (0.41) EGLN1ACACBPTGES
SCHEMBL18335096 0.76 CHRNB2 (0.39) EGLN1PTGES
SCHEMBL18335143 0.75 PTGES (0.39) PTGES

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 EGLN1 1022/4885ACACB 4139/4885IRAK4 4284/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 EGLN1 1022/4885ACACB 4139/4885IRAK4 4284/4885

“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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