SCHEMBL25979367

SCHEMBL25979367

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.64
HDAC1 Q13547 10/20 0.64
HDAC8 Q9BY41 9/20 0.64
HDAC5 Q9UQL6 3/20 0.54
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MLYCD O95822 3/20 0.43
POLB P06746 1/20 0.42
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL22217910 0.92 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC5ALDH1A1
SCHEMBL30493918 0.90 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC5ALDH1A1
SCHEMBL16211548 0.90 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC5ALDH1A1
SCHEMBL25981781 0.89 HDAC1 (0.49) HDAC6HDAC1HDAC8HDAC5ALDH1A1
SCHEMBL16211302 0.87 HDAC1 (0.66) HDAC6HDAC1HDAC8HDAC5ALDH1A1
SCHEMBL23407545 0.87 HDAC1 (0.70) HDAC6HDAC1HDAC8HDAC5ALDH1A1
SCHEMBL22218819 0.86 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC5ALDH1A1
SCHEMBL29879232 0.86 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC5ALDH1A1
SCHEMBL25980754 0.86 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC5ALDH1A1
SCHEMBL25979238 0.86 HDAC1 (0.51) HDAC6HDAC1HDAC8HDAC5MLYCD

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.