SCHEMBL25980754

SCHEMBL25980754

CC1CN(C(=O)N(Cc2ccc(C(=O)NOI)cc2)c2cccc(C(F)(F)F)c2)CC(C)O1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.48
HDAC1 Q13547 12/20 0.48
HDAC8 Q9BY41 10/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD11B1 P28845 1/20 0.47
HDAC5 Q9UQL6 3/20 0.44
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL16211494 0.90 HDAC6 (0.53) HDAC6HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL25981737 0.89 HDAC6 (0.46) HDAC6HDAC1HDAC8HDAC5LTB4R2
SCHEMBL16211649 0.88 SMN1; SMN2 (0.50) HDAC6HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL25979367 0.86 HDAC6 (0.64) HDAC6HDAC1HDAC8ALDH1A1HDAC5
SCHEMBL25981731 0.83 ALDH1A1 (0.42) HDAC6HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL25980807 0.81 L3MBTL1 (0.38) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL16211465 0.79 HDAC8 (0.48) HDAC6HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL16211432 0.78 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC5LTB4R2
SCHEMBL16211299 0.78 HDAC6 (0.54) HDAC6HDAC1HDAC8SMN1; SMN2ALDH1A1
SCHEMBL25979308 0.78 TSHR (0.41) SMN1; SMN2ALDH1A1LMNAKMT2A

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.