SCHEMBL22043408

SCHEMBL22043408

C#CCOc1ccc(C(C)(C)C)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.47
▸ CA9 Q16790 5/20 0.47
▸ CA4 P22748 4/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA7 P43166 1/20 0.47
▸ MAOB P27338 10/20 0.43
▸ MAOA P21397 7/20 0.43
▸ ACHE P22303 1/20 0.41
▸ GSTP1 P09211 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ CHRNB2 P17787 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
SCHEMBL22043409 0.83 GPR119 (0.40) CA12CA9CA1KDM4EALDH1A1
SCHEMBL12710188 0.78 NQO1 (0.50) CA12CA9CA1CA2CA7
SCHEMBL20085933 0.77 EGLN2 (0.39) POLBCHRNB2CHRNA4
SCHEMBL11485293 0.77 GRM5 (0.53) CA12CA9CA4CA1CA2
SCHEMBL25888663 0.75 CA12 (0.47) CA12CA9CA1CA2CA7
SCHEMBL20128692 0.75 CA12 (0.47) CA12CA9CA1CA2CA7
SCHEMBL1026795 0.75 MMP2 (0.36) POLBCHRNB2CHRNA4
SCHEMBL5104116 0.74 SMN1; SMN2 (0.50) CA12CA9CA4CA1CA2
SCHEMBL22043410 0.74 CBFB (0.40) MAOAKDM4E
SCHEMBL22043316 0.74 CACNA1I (0.40) KDM4EALDH1A1CHRNB2CHRNA4

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 CA12 4431/4885CA9 2865/4885CA4 1355/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 CA12 4431/4885CA9 2865/4885CA4 1355/4885

“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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