SCHEMBL8065893

SCHEMBL8065893

CC(C)(O)C(C)(C)OBc1ccc(N)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33

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
SCHEMBL7877221 0.85 KDM4E (0.38) KDM4EHSD17B10NOS3NOS2HDAC1
SCHEMBL12156227 0.84 KDM4E (0.37) KDM4EHSD17B10NOS3NOS2HDAC1
SCHEMBL7876853 0.82 KMT2A (0.37) HDAC1HDAC6
SCHEMBL22084822 0.82
SCHEMBL8056065 0.81 HDAC1 (0.32) HDAC1HDAC6
SCHEMBL19654862 0.80 PDPK1 (0.39)
SCHEMBL24444990 0.79 HCAR3 (0.39) NNMT
SCHEMBL12459107 0.79 NNMT (0.38) KDM4ENNMTPIK3CA
SCHEMBL19418256 0.79 KMT2A (0.42) KDM4ENNMT
SCHEMBL25646278 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272133-A2 PROTEIN STABILIZING COMPOUNDS CONTAINING USP7 LIGANDS Stablix, Inc. (US) 2022-12-29 WO disclosed
WO-2021076945-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 WO disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO 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 (1 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-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A KDM4E 1964/4885HSD17B10 608/4885NOS3 1529/4885

“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.