SCHEMBL18335159

SCHEMBL18335159

CCOC(=O)C(CNC(=O)c1cn(C)nc1C(F)F)(C(=O)OCC)c1ncc(C#CC2CC2)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ IRAK4 Q9NWZ3 4/20 0.32
▸ PTGES O14684 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ GPR6 P46095 1/20 0.31
▸ KLKB1 P03952 1/20 0.30
▸ KAT7 O95251 1/20 0.30
▸ KAT6A Q92794 1/20 0.30
▸ KAT5 Q92993 1/20 0.30
▸ KAT8 Q9H7Z6 1/20 0.30
▸ ELANE P08246 1/20 0.30

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
SCHEMBL18335160 0.87 ACACB (0.33) ACACBEGLN1ALKPTGES
SCHEMBL22210675 0.78 EGLN1 (0.45) ACACBEGLN1IRAK4PTGESKDM4E
SCHEMBL18335158 0.77 EGLN1 (0.44) ACACBEGLN1ALKIRAK4PTGES
SCHEMBL18335105 0.77 IRAK4 (0.38) ACACBEGLN1IRAK4GPR6
SCHEMBL18335117 0.77 ACACB (0.36) ACACBEGLN1IRAK4PTGES
SCHEMBL18335154 0.77 SLC6A9 (0.37) ACACBEGLN1IRAK4PTGES
Isopropyl Alcohol SCHEMBL28692887 0.76 EGLN1 (0.43) ACACBEGLN1ALKIRAK4PTGES
SCHEMBL18335162 0.75 ACACB (0.41) ACACBEGLN1PTGESGPR6KAT7
SCHEMBL19063446 0.75 EGLN1 (0.40) ACACBEGLN1ALKIRAK4PTGES
SCHEMBL22194021 0.75 EGLN1 (0.40) ACACBEGLN1ALKIRAK4PTGES

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 ACACB 4139/4885EGLN1 1022/4885ALK 68/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 ACACB 4139/4885EGLN1 1022/4885ALK 68/4885

“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