SCHEMBL25979867

SCHEMBL25979867

O=C(NO)c1ccc(CN(C(=O)N2CC[C@@H](P)C2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.47
HDAC11 Q96DB2 8/20 0.46
HDAC8 Q9BY41 8/20 0.46
HDAC3 O15379 4/20 0.44
HDAC1 Q13547 3/20 0.42
LSS P48449 1/20 0.41
SLC6A5 Q9Y345 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
TEAD1 P28347 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
SCHEMBL16211267 0.90 HDAC6 (0.48) HDAC6HDAC11HDAC8HDAC3HDAC1
SCHEMBL16211665 0.90 HDAC6 (0.48) HDAC6HDAC11HDAC8HDAC3HDAC1
SCHEMBL16211265 0.90 HDAC6 (0.48) HDAC6HDAC11HDAC8HDAC3HDAC1
SCHEMBL25981501 0.88 HDAC6 (0.49) HDAC6HDAC11HDAC8HDAC3HDAC1
SCHEMBL25981478 0.88 HDAC6 (0.47) HDAC6HDAC11HDAC8HDAC3HDAC1
SCHEMBL16211719 0.82 HDAC6 (0.52) HDAC6HDAC11HDAC8HDAC1
SCHEMBL16211390 0.81 HDAC6 (0.52) HDAC6HDAC11HDAC8HDAC3HDAC1
SCHEMBL25981390 0.81 HDAC6 (0.41) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL16211373 0.80 SLC6A5 (0.41) LSSSLC6A5TEAD1
SCHEMBL16211371 0.80 SLC6A5 (0.41) LSSSLC6A5TEAD1

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 997/4885HDAC11 1490/4885HDAC8 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.