SCHEMBL21718945

SCHEMBL21718945

COc1cnc(C(C)(C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 3/20 0.36
PDK2 Q15119 1/20 0.36
CYP1A1 P04798 3/20 0.34
CYP1B1 Q16678 3/20 0.34
CYP1A2 P05177 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
GRM8 O00222 1/20 0.32
GRM7 Q14831 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 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
SCHEMBL21718943 0.82 CA1 (0.39) CA1CA2ALDH1A1PDK2CYP1A1
SCHEMBL21718407 0.81 CYP11B1 (0.38) TAAR1ALDH1A1CYP11B1CYP11B2NPC1
SCHEMBL17877840 0.80 CA1 (0.41) CA1CA2ALDH1A1CYP11B1CYP11B2
SCHEMBL26808790 0.80 TAAR1 (0.38) TAAR1ALDH1A1CYP11B1CYP11B2PDK2
SCHEMBL13624095 0.78 CA1 (0.39) CA1CA2ALDH1A1CYP1A1CYP1B1
SCHEMBL22949457 0.78 CA1 (0.53) CA1CA2ALDH1A1CYP11B1CYP11B2
SCHEMBL21718904 0.77 CA1 (0.38) CA1CA2ALDH1A1PDK2CYP1A1
SCHEMBL29087850 0.76 TAAR1 (0.38) TAAR1ALDH1A1CYP11B1CYP11B2PDK2
SCHEMBL10204646 0.75 AGBL2 (0.32)
SCHEMBL21718833 0.74 CA1 (0.36) CA1CA2ALDH1A1CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
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-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 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-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (9 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-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A TAAR1 3520/4885CA1 4430/4885CA2 4296/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A TAAR1 3520/4885CA1 4430/4885CA2 4296/4885
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 TAAR1 817/4885CA1 2325/4885CA2 986/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP TAAR1 677/4885CA1 4274/4885CA2 3202/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK TAAR1 910/4885CA1 4296/4885CA2 3320/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A TAAR1 3520/4885CA1 4430/4885CA2 4296/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK TAAR1 910/4885CA1 4296/4885CA2 3320/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 TAAR1 817/4885CA1 2325/4885CA2 986/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP TAAR1 677/4885CA1 4274/4885CA2 3202/4885

“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.