SCHEMBL18335084

SCHEMBL18335084

CSC(CNC(=O)OC(C)(C)C)c1ncc(C#CC2CC2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.38
▸ STK17B O94768 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34
▸ SLC5A1 P13866 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNA2 Q15822 2/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ ACACB O00763 2/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ PTGES O14684 2/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ CPB2 Q96IY4 2/20 0.31
▸ SYK P43405 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ IDO1 P14902 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
SCHEMBL18335078 0.88 EGLN1 (0.39) EGLN1STK17BSTK17APDPK1CHRNB2
SCHEMBL18335093 0.79 AAK1 (0.42) STK17BSTK17ASLC5A1SYKPOLB
SCHEMBL18335153 0.78 TRPA1 (0.36) EGLN1CHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL18335062 0.78 EGLN1 (0.41) EGLN1STK17BSTK17ACHRNB2CHRNA2
SCHEMBL18335102 0.78 EGLN1 (0.41) EGLN1STK17BSTK17ACHRNB2CHRNA2
SCHEMBL18335145 0.77 NR3C1 (0.35) EGLN1CHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL18335094 0.77 CHRNB2 (0.37) EGLN1CHRNB2CHRNA2CHRNB4CHRNA3
SCHEMBL18335152 0.76 EGLN1 (0.39) EGLN1STK17BSTK17APDPK1CHRNB2
SCHEMBL18335095 0.76 EGLN1 (0.39) EGLN1STK17BSTK17ACHRNB2CHRNA2
SCHEMBL18335116 0.76 EGLN1 (0.39) EGLN1STK17BSTK17ACHRNB2CHRNA2

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 1022/4885STK17B 2938/4885STK17A 2474/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 EGLN1 1022/4885STK17B 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.

Send feedback