SCHEMBL18335165

SCHEMBL18335165

O=C(NCCc1ncc(C#CC2CC2)cc1Cl)c1cccnc1C(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.38
▸ P2RX7 Q99572 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PTGES O14684 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD3 P35462 1/20 0.32

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
SCHEMBL18335139 0.83 EGLN1 (0.37) EGLN1P2RX7PTGESDRD2DRD3
SCHEMBL18335132 0.82 EGLN1 (0.36) EGLN1P2RX7PTGESDRD2DRD3
SCHEMBL18335136 0.81 P2RX7 (0.37) EGLN1P2RX7PTGESDRD2DRD3
SCHEMBL18335062 0.72 EGLN1 (0.41) EGLN1MEN1KMT2AALDH1A1LMNA
SCHEMBL18335162 0.70 ACACB (0.41) EGLN1PTGES
SCHEMBL18335157 0.69 TP53 (0.42) EGLN1P2RX7LMNAGLAPOLB
SCHEMBL18335091 0.68 P2RX7 (0.41) EGLN1P2RX7PTGESNPC1RAB9A
SCHEMBL18335137 0.67 TP53 (0.41) EGLN1P2RX7MEN1KMT2APTGES
SCHEMBL22210675 0.67 EGLN1 (0.45) EGLN1PTGESALDH1A1LMNATSHR
SCHEMBL18335115 0.67 CHRNB2 (0.39) EGLN1

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 1022/4885P2RX7 432/4885MEN1 699/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 EGLN1 1022/4885P2RX7 432/4885MEN1 699/4885

“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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