SCHEMBL22043409

SCHEMBL22043409

CC(C)(C)c1ccc(OCC#N)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.40
▸ SYK P43405 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ GRM5 P41594 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CCR9 P51686 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PSEN1 P49768 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
SCHEMBL22043408 0.83 CA12 (0.47) TSHRALDH1A1GAAKDM4EGLA
SCHEMBL12710188 0.78 NQO1 (0.50) MAPTTSHRSMN1; SMN2ALDH1A1GAA
SCHEMBL20085933 0.77 EGLN2 (0.39) L3MBTL1POLBCHRNB2CHRNA4LMNA
SCHEMBL12147804 0.77 GRM5 (0.53) GPR119SYKL3MBTL1MAPTSMN1; SMN2
SCHEMBL25888663 0.75 CA12 (0.47) L3MBTL1MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL1026795 0.75 MMP2 (0.36) L3MBTL1POLBCHRNB2CHRNA4LMNA
SCHEMBL20128692 0.75 CA12 (0.47) MAPTTSHRSMN1; SMN2KDM4EHSD17B10
SCHEMBL15604421 0.74 SMN1; SMN2 (0.50) L3MBTL1MAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL22043316 0.74 CACNA1I (0.40) L3MBTL1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL22043410 0.74 CBFB (0.40) KDM4E

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 2 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

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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 GPR119 2800/4885SYK 1667/4885L3MBTL1 3104/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 GPR119 2800/4885SYK 1667/4885L3MBTL1 3104/4885

“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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