SCHEMBL25980828

SCHEMBL25980828

O=C(NOI)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(-c3cc(F)cc(I)c3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC5 Q9UQL6 2/20 0.38
HIF1A Q16665 3/20 0.37
EPAS1 Q99814 3/20 0.37
AOC3 Q16853 1/20 0.37
GAA P10253 1/20 0.36
GRIN2B Q13224 1/20 0.36
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.36
CETP P11597 3/20 0.36
MLYCD O95822 1/20 0.35
BTK Q06187 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL25981781 0.87 HDAC1 (0.49) HDAC1HDAC6HDAC8HDAC5HIF1A
SCHEMBL16211279 0.86 HDAC6 (0.49) HDAC1HDAC6HDAC8HDAC5AOC3
SCHEMBL25979197 0.85 HDAC1 (0.44) HDAC1HDAC6HDAC8GRIN2BFPR2
SCHEMBL25980840 0.85 HDAC6 (0.47) HDAC1HDAC6HDAC8HDAC5HIF1A
SCHEMBL25980858 0.85 HDAC6 (0.47) HDAC1HDAC6HDAC8HDAC5HIF1A
SCHEMBL25980822 0.84 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC5AOC3
SCHEMBL25980903 0.84 HDAC1 (0.43) HDAC1HDAC6HDAC8AOC3ALDH1A1
SCHEMBL25980892 0.84 HDAC1 (0.46) HDAC1HDAC6HDAC8HDAC5AOC3
SCHEMBL16211519 0.84 HDAC1 (0.49) HDAC1HDAC6HDAC8HDAC5AOC3
SCHEMBL25981788 0.84 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC5GAA

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 HDAC1 1635/4885HDAC6 997/4885HDAC8 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.