SCHEMBL18335145

SCHEMBL18335145

COC(c1ncc(C#CC2CC2)cc1Cl)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 3/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ S1PR3 Q99500 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ CHRNB2 P17787 2/20 0.31
▸ CHRNA2 Q15822 2/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL18335153 0.89 TRPA1 (0.36) NR3C1TRPA1EGLN1GAASYK
SCHEMBL18335143 0.85 PTGES (0.39) S1PR3PTGES
SCHEMBL18335078 0.81 EGLN1 (0.39) EGLN1GAAPTGESIRAK4CHRNB2
SCHEMBL18335135 0.80 EGLN1 (0.40) TRPA1EGLN1AAK1PTGESIRAK4
SCHEMBL18335169 0.80 EGLN1 (0.40) TRPA1EGLN1AAK1PTGESIRAK4
SCHEMBL18335164 0.79 AAK1 (0.45) NR3C1TRPA1SYKS1PR3AAK1
SCHEMBL18335103 0.77 PDGFRB (0.39) EGLN1GAAPDGFRBPDGFRACHRNB2
SCHEMBL18335110 0.77 ACACB (0.42) EGLN1PTGES
SCHEMBL18335084 0.77 EGLN1 (0.38) EGLN1SYKPTGESIRAK4MAPK1
SCHEMBL18335062 0.75 EGLN1 (0.41) EGLN1GAACHRNB2CHRNA2CHRNB4

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 NR3C1 334/4885TRPA1 141/4885EGLN1 1022/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 NR3C1 334/4885TRPA1 141/4885EGLN1 1022/4885

“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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