SCHEMBL18335137

SCHEMBL18335137

CC(C)(C)C#Cc1cnc(CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ P2RX7 Q99572 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SCD O00767 3/20 0.39
▸ ESRRG P62508 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HSD17B13 Q7Z5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTGES O14684 1/20 0.36
▸ HDAC3 O15379 1/20 0.36

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
SCHEMBL18335157 0.90 TP53 (0.42) TP53GLAP2RX7EGLN1POLB
SCHEMBL19141018 0.83 GLA (0.51) TP53GLAP2RX7POLBHPGD
SCHEMBL10106053 0.83 TP53 (0.48) TP53GLAP2RX7POLBHPGD
SCHEMBL727891 0.83 GLA (0.47) TP53GLAP2RX7POLBHPGD
SCHEMBL19847610 0.82 TP53 (0.48) TP53GLAP2RX7POLBHPGD
Fluopyram SCHEMBL29353266 0.82 GLA (0.59) TP53GLAP2RX7POLBSMN1; SMN2
Fluopyram SCHEMBL67230 0.82 GLA (0.59) TP53GLAP2RX7POLBSMN1; SMN2
SCHEMBL16541062 0.81 LMNA (0.45) TP53GLAP2RX7POLBHPGD
SCHEMBL4556933 0.80 GLA (0.47) TP53GLAP2RX7POLBHPGD
SCHEMBL16363567 0.79 GLA (0.56) TP53GLAP2RX7POLBSMN1; 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 TP53 3564/4885GLA 4040/4885P2RX7 432/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 TP53 3564/4885GLA 4040/4885P2RX7 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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