SCHEMBL18335164

SCHEMBL18335164

COC(c1ncc(Br)cc1Cl)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 11/20 0.45
▸ TRPA1 O75762 1/20 0.42
▸ MAPK1 P28482 1/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NR3C1 P04150 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18335145 0.79 NR3C1 (0.35) AAK1TRPA1MAPK1S1PR3SYK
SCHEMBL18335064 0.77 AAK1 (0.44) AAK1TRPA1MAPK1
SCHEMBL18335133 0.75 AAK1 (0.47) AAK1TRPA1MAPK1S1PR3KMT2A
SCHEMBL18335113 0.75 AAK1 (0.50) AAK1TRPA1TP53SMN1; SMN2
SCHEMBL16088900 0.73 AAK1 (0.53) AAK1TRPA1S1PR3KMT2A
SCHEMBL2949119 0.72 AAK1 (0.49) AAK1TRPA1S1PR3KMT2A
SCHEMBL16088899 0.72 AAK1 (0.49) AAK1TRPA1S1PR3KMT2A
SCHEMBL21415825 0.72 AAK1 (0.44) AAK1TRPA1S1PR3KMT2ATP53
SCHEMBL18335122 0.72 S1PR1 (0.41) MAPK1S1PR3KMT2A
SCHEMBL18335093 0.72 AAK1 (0.42) AAK1TRPA1MAPK1SYKKMT2A

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 AAK1 1804/4885TRPA1 141/4885MAPK1 138/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 AAK1 1804/4885TRPA1 141/4885MAPK1 138/4885

“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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