SCHEMBL25979228

SCHEMBL25979228

O=C(NOI)c1ccc(CN(C(=O)N2CCOCC2)c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
ALDH1A1 P00352 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL16211656 0.90 HDAC6 (0.51) HDAC1HDAC6HDAC8MKNK1MKNK2
SCHEMBL25979180 0.90 MAPT (0.46) HDAC1HDAC6HDAC8ALDH1A1CD274
SCHEMBL16213188 0.88 SLC2A1 (0.45) HDAC1HDAC6HDAC8MKNK1MKNK2
SCHEMBL25979143 0.86 HDAC1 (0.46) HDAC1HDAC6HDAC8ALDH1A1CD274
SCHEMBL25979197 0.84 HDAC1 (0.44) HDAC1HDAC6HDAC8CD274
SCHEMBL25980858 0.83 HDAC6 (0.47) HDAC1HDAC6HDAC8ABL1CD274
SCHEMBL16211454 0.81 HDAC6 (0.50) HDAC1HDAC6HDAC8ABL1BCR
SCHEMBL22218120 0.81 HDAC6 (0.45) HDAC1HDAC6HDAC8ALDH1A1
SCHEMBL25979042 0.81 HDAC6 (0.43) HDAC1HDAC6HDAC8ABL1BCR
SCHEMBL25979152 0.81 TNKS (0.44) HDAC1HDAC6HDAC8GSK3BDYRK1A

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.