SCHEMBL18335138

SCHEMBL18335138

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ P2RX7 Q99572 6/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGES O14684 2/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL16540850 0.87 LMNA (0.45) LMNAGAAP2RX7MAPTMAPK1
SCHEMBL16654918 0.85 P2RX7 (0.44) LMNAGAAP2RX7MAPTMAPK1
SCHEMBL18335072 0.82 P2RX7 (0.38) P2RX7
SCHEMBL18335155 0.79 PTGES (0.41) LMNAGAAP2RX7MAPTMAPK1
SCHEMBL18335142 0.77 LMNA (0.43) LMNAGAAP2RX7MAPTMAPK1
SCHEMBL16541062 0.76 LMNA (0.45) LMNAGAAP2RX7MAPTMAPK1
SCHEMBL15999656 0.76 P2RX7 (0.43) LMNAGAAP2RX7MAPTSMN1; SMN2
SCHEMBL18335156 0.75 P2RX7 (0.36) LMNAGAAP2RX7PTGES
SCHEMBL16665055 0.74 EGLN1 (0.41) LMNAGAAP2RX7
SCHEMBL14921068 0.73 P2RX7 (0.47) LMNAGAAP2RX7MAPTSMN1; SMN2

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 LMNA 2397/4885GAA 4684/4885P2RX7 432/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 LMNA 2397/4885GAA 4684/4885P2RX7 432/4885

“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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