SCHEMBL12147804

SCHEMBL12147804

Cc1ccc(OCC#N)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.53
▸ CHRNB2 P17787 4/20 0.42
▸ CHRNA4 P43681 4/20 0.42
▸ CHRNB1 P11230 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNB3 Q05901 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH2 P05091 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SYK P43405 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL11485293 0.81 GRM5 (0.53) GRM5CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL7940218 0.79 GRM5 (0.59) GRM5CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL11474709 0.78 GRM5 (0.57) GRM5CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL22043409 0.77 GPR119 (0.40) GRM5CHRNB2CHRNA4POLBSMN1; SMN2
SCHEMBL15372171 0.76 GRM5 (0.41) GRM5CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL2669046 0.75 NQO1 (0.56) GRM5CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL3357599 0.75 ALDH1A1 (0.46) GRM5SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL15483094 0.74 CHRNB2 (0.45) GRM5CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL7925898 0.74 CHRNB2 (0.45) GRM5CHRNB2CHRNA4CHRNB1CHRNB4
SCHEMBL7305175 0.73 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 — — US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 — — US disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 — — US disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 — — US 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 (3 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-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES CBR3, CBR1, CHRM1 GRM5 690/4885CHRNB2 700/4885CHRNA4 225/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 GRM5 1405/4885CHRNB2 3454/4885CHRNA4 2579/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 GRM5 1405/4885CHRNB2 3454/4885CHRNA4 2579/4885

“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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