SCHEMBL26074115

SCHEMBL26074115

COc1cc(COCCCNC(=O)OC(C)(C)C)cc2onc(N)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
DRD2 P14416 4/20 0.37
CYP1A1 P04798 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP3A43 Q9HB55 1/20 0.36
ATM Q13315 1/20 0.36
BRD4 O60885 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
STING1 Q86WV6 1/20 0.35
KAT7 O95251 1/20 0.35
KAT6A Q92794 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
SCHEMBL30545831 0.94 BCHE (0.38) CA1CA2CA12CA9DRD2
SCHEMBL26076677 0.94 BCHE (0.38) CA1CA2CA12CA9DRD2
SCHEMBL26074109 0.82 BCHE (0.37) CA1CA2CA12CA9CYP2D6
SCHEMBL26074114 0.80 KAT6A (0.56) KAT7KAT6A
SCHEMBL27328190 0.77 TDP1 (0.51) CA1CA2CA12CA9CYP1A1
SCHEMBL26073850 0.74 KAT7 (0.50) KAT7KAT6A
SCHEMBL30545816 0.74 KAT6A (0.58) KAT7KAT6A
SCHEMBL26076678 0.74 KAT6A (0.58) KAT7KAT6A
SCHEMBL21596845 0.74 KAT7 (0.36) KAT7KAT6A
SCHEMBL30545841 0.73 KAT7 (0.46) KAT7KAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases Isosterix, Inc. 2024-05-07 US disclosed
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases Isosterix, Inc. 2024-05-07 US disclosed
WO-2023192817-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. (US) 2023-10-05 WO disclosed
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. 2023-09-28 US disclosed
US-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. 2023-09-28 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-20230303580-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES KAT6A, KAT6B, KAT2A CA1 3845/4885CA2 4141/4885CA12 4272/4885
US-11976075-B2 Inhibitors of the MYST family of lysine acetyl transferases KAT6A, KAT6B, KAT2A CA1 3845/4885CA2 4141/4885CA12 4272/4885

“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.