SCHEMBL25980840

SCHEMBL25980840

O=C(NOI)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(-c3ccoc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC5 Q9UQL6 2/20 0.39
AOC3 Q16853 3/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
RIPK1 Q13546 1/20 0.35
CETP P11597 2/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
LRRK2 Q5S007 1/20 0.34
GAA P10253 1/20 0.34
MLYCD O95822 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34

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
SCHEMBL16211601 0.90 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC5AOC3
SCHEMBL16211528 0.88 HDAC1 (0.48) HDAC6HDAC1HDAC8HDAC5AOC3
SCHEMBL25980858 0.86 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC5AOC3
SCHEMBL25980822 0.86 HDAC1 (0.46) HDAC6HDAC1HDAC8HDAC5AOC3
SCHEMBL25980892 0.85 HDAC1 (0.46) HDAC6HDAC1HDAC8HDAC5AOC3
SCHEMBL25979536 0.85 NR1H4 (0.46) HDAC6HDAC1HDAC8HDAC5AOC3
SCHEMBL25980828 0.85 HDAC1 (0.46) HDAC6HDAC1HDAC8HDAC5AOC3
SCHEMBL25981781 0.85 HDAC1 (0.49) HDAC6HDAC1HDAC8HDAC5HIF1A
SCHEMBL25980903 0.84 HDAC1 (0.43) HDAC6HDAC1HDAC8AOC3
SCHEMBL25979143 0.84 HDAC1 (0.46) HDAC6HDAC1HDAC8AOC3MLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-10 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 (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-20230248735-A1 COMPOSITIONS FOR PREVENTING OR TREATING CHRONIC OBSTRUCTIVE PULMONARY DISEASES (COPD) NR1H2, CFTR, CYP11B2 HDAC6 997/4885HDAC1 1635/4885HDAC8 2983/4885

“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.