SCHEMBL25979014

SCHEMBL25979014

CC(=O)c1ccc(CN(C(=O)N2CCOCC2)c2cccc(Br)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
MTOR P42345 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.41
HDAC5 Q9UQL6 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A1 P04798 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL22686036 0.90 HDAC1 (0.51) HDAC1HDAC6HDAC8MTORKMT2A
SCHEMBL16211817 0.89 ALDH1A1 (0.50) HDAC1HDAC6HDAC8MTORNPC1
SCHEMBL16211578 0.88 HDAC1 (0.49) HDAC1HDAC6HDAC8MTORNPC1
SCHEMBL25980466 0.86 HDAC1 (0.46) HDAC1HDAC6HDAC8MTORNPC1
SCHEMBL25980532 0.80 HDAC1 (0.46) HDAC1HDAC6HDAC8NPC1RAB9A
SCHEMBL17623522 0.79 HDAC1 (0.49) HDAC1HDAC6HDAC8NPC1RAB9A
SCHEMBL25980727 0.78 HDAC6 (0.48) HDAC1HDAC6HDAC8HDAC5PDK2
SCHEMBL16221442 0.78 HDAC6 (0.48) HDAC1HDAC6HDAC8
SCHEMBL16211622 0.77 HDAC1 (0.51) HDAC1HDAC6HDAC8KMT2AHDAC5
SCHEMBL22686049 0.77 LTB4R2 (0.53) HDAC1HDAC6HDAC8MTORNPC1

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.