SCHEMBL18335091

SCHEMBL18335091

CC(CNC(=O)c1ccccc1C(F)(F)F)c1ncc(C#CC2CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 13/20 0.41
▸ CTSS P25774 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ SCD O00767 1/20 0.37

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
SCHEMBL18335060 0.82 PTGES (0.37) PTGESEGLN1
SCHEMBL18335072 0.79 P2RX7 (0.38) P2RX7CTSSEGLN1
SCHEMBL18335151 0.78 SLC6A2 (0.37) PTGESSCD
SCHEMBL18335078 0.77 EGLN1 (0.39) PTGESEGLN1
SCHEMBL18335114 0.77 SLC6A2 (0.37) PTGESEGLN1SCD
SCHEMBL20333225 0.72 MAPK1 (0.56) P2RX7
SCHEMBL4425267 0.71 KMT2A (0.47) P2RX7PTGES
SCHEMBL18335136 0.71 P2RX7 (0.37) P2RX7PTGESEGLN1
SCHEMBL4418285 0.71 MAPK1 (0.47) P2RX7PTGES
SCHEMBL4662589 0.70 NPC1 (0.50) P2RX7NPC1RAB9ASCD

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 P2RX7 432/4885CTSS 2226/4885PTGES 3364/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 P2RX7 432/4885CTSS 2226/4885PTGES 3364/4885

“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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