SCHEMBL18335093

SCHEMBL18335093

CSC(CNC(=O)OC(C)(C)C)c1ncc(Br)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 7/20 0.42
▸ STK17B O94768 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ RORC P51449 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ IDO1 P14902 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ SERPINE1 P05121 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ SLC5A1 P13866 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EPAS1 Q99814 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
SCHEMBL18335064 0.85 AAK1 (0.44) AAK1STK17BSTK17ARORCTRPA1
SCHEMBL18335084 0.79 EGLN1 (0.38) STK17BSTK17AIDO1MAPK1POLB
SCHEMBL16809853 0.75 AAK1 (0.45) AAK1STK17BSTK17ARORCTRPA1
SCHEMBL30162902 0.75 AAK1 (0.45) AAK1STK17BSTK17ARORCTRPA1
SCHEMBL16552184 0.73 STK17B (0.47) AAK1STK17BSTK17ATRPA1IDO1
SCHEMBL18335070 0.73 STK17B (0.42) AAK1STK17BSTK17ARORCTRPA1
SCHEMBL16593050 0.72 STK17B (0.46) AAK1STK17BSTK17AIDO1HPGD
SCHEMBL18335164 0.72 AAK1 (0.45) AAK1TRPA1MAPK1SYKKMT2A
SCHEMBL18335092 0.71 STK17B (0.41) AAK1STK17BSTK17ARORCTRPA1
SCHEMBL18335150 0.71 STK17B (0.41) AAK1STK17BSTK17ARORCTRPA1

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 1804/4885STK17B 2938/4885STK17A 2474/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 AAK1 1804/4885STK17B 2938/4885STK17A 2474/4885

“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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