SCHEMBL25980822

SCHEMBL25980822

Cc1cccc(C)c1-c1cccc(N(Cc2ccc(C(=O)NOI)cc2)C(=O)N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
GAA P10253 2/20 0.42
AOC3 Q16853 1/20 0.39
HDAC5 Q9UQL6 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
RAB9A P51151 4/20 0.36
MLYCD O95822 1/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL16211345 0.91 HDAC6 (0.47) HDAC1HDAC6HDAC8GAAAOC3
SCHEMBL16211445 0.89 HDAC1 (0.47) HDAC1HDAC6HDAC8GAAAOC3
SCHEMBL25981775 0.86 HPGD (0.47) HDAC1HDAC6HDAC8GAAMEN1
SCHEMBL25981781 0.86 HDAC1 (0.49) HDAC1HDAC6HDAC8GAAHDAC5
SCHEMBL25980840 0.86 HDAC6 (0.47) HDAC1HDAC6HDAC8GAAAOC3
SCHEMBL25980858 0.86 HDAC6 (0.47) HDAC1HDAC6HDAC8AOC3HDAC5
SCHEMBL25980903 0.85 HDAC1 (0.43) HDAC1HDAC6HDAC8AOC3MEN1
SCHEMBL25981778 0.85 SMN1; SMN2 (0.49) HDAC1HDAC6HDAC8KDM4EALDH1A1
SCHEMBL25980892 0.85 HDAC1 (0.46) HDAC1HDAC6HDAC8AOC3HDAC5
SCHEMBL25980828 0.84 HDAC1 (0.46) HDAC1HDAC6HDAC8GAAAOC3

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.