SCHEMBL25979536

SCHEMBL25979536

O=C(NOI)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(-c3ccc4c(c3)OCO4)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
USP2 O75604 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 2/20 0.41
CD274 Q9NZQ7 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
FLT3 P36888 1/20 0.41
KMT2A Q03164 2/20 0.40
CHRM3 P20309 2/20 0.39
MEN1 O00255 1/20 0.39
FKBP1A P62942 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL25980892 0.96 HDAC1 (0.46) NR1H4HDAC1HDAC8HDAC6LMNA
SCHEMBL16211867 0.91 HDAC1 (0.48) NR1H4HDAC1HDAC8HDAC6LMNA
SCHEMBL16211490 0.88 NR1H4 (0.51) NR1H4HDAC1HDAC8HDAC6NPC1
SCHEMBL16211324 0.86 HDAC6 (0.48) NR1H4HDAC1HDAC8HDAC6LMNA
SCHEMBL25980858 0.85 HDAC6 (0.47) HDAC1HDAC8HDAC6CD274HDAC5
SCHEMBL25980840 0.85 HDAC6 (0.47) NR1H4HDAC1HDAC8HDAC6HDAC5
SCHEMBL25980822 0.84 HDAC1 (0.46) HDAC1HDAC8HDAC6LMNANPC1
SCHEMBL25979143 0.84 HDAC1 (0.46) HDAC1HDAC8HDAC6HPGDCD274
SCHEMBL16211780 0.84 HDAC1 (0.47) NR1H4HDAC1HDAC8HDAC6LMNA
SCHEMBL16211429 0.84 HDAC1 (0.49) NR1H4HDAC1HDAC8HDAC6NPC1

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 NR1H4 119/4885HDAC1 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.