SCHEMBL18335133

SCHEMBL18335133

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 10/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ S1PR3 Q99500 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
SCHEMBL18335113 0.78 AAK1 (0.50) AAK1TRPA1TP53SMN1; SMN2
SCHEMBL10324630 0.77 CNR1 (0.38) AAK1ALDH1A1MAPT
SCHEMBL18335169 0.77 EGLN1 (0.40) AAK1TRPA1MEN1THRBKMT2A
SCHEMBL18335164 0.75 AAK1 (0.45) AAK1TRPA1KMT2AMAPK1TP53
SCHEMBL30162902 0.73 AAK1 (0.45) AAK1TRPA1KDM4EMAPK1GAA
SCHEMBL16809853 0.73 AAK1 (0.45) AAK1TRPA1KDM4EMAPK1GAA
SCHEMBL18335064 0.72 AAK1 (0.44) AAK1TRPA1MAPK1
SCHEMBL19159150 0.72 KDM4E (0.45) AAK1TRPA1KDM4EHPGDALDH1A1
SCHEMBL15274507 0.72 KDM4E (0.45) AAK1TRPA1KDM4EHPGDALDH1A1
SCHEMBL16552184 0.72 STK17B (0.47) AAK1TRPA1MEN1KMT2AKDM4E

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 141/4885MEN1 699/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 AAK1 1804/4885TRPA1 141/4885MEN1 699/4885

“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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