SCHEMBL25978960

SCHEMBL25978960

O=C(c1ccc(CN(C(=O)N2CCOCC2)c2cccc(-c3cccnc3)c2)cc1)N(O)I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC5 Q9UQL6 2/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
DYRK1A Q13627 2/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
HSD17B10 Q99714 2/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CASR P41180 1/20 0.36
PDK1 Q15118 1/20 0.36
AOC3 Q16853 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL16211454 0.87 HDAC6 (0.50) HDAC1HDAC6HDAC8HDAC5ABL1
SCHEMBL16211448 0.86 HDAC1 (0.47) HDAC1HDAC6HDAC8HDAC5ABL1
SCHEMBL25980858 0.80 HDAC6 (0.47) HDAC1HDAC6HDAC8HDAC5ABL1
SCHEMBL25979228 0.79 HDAC1 (0.42) HDAC1HDAC6HDAC8ABL1BCR
SCHEMBL16221497 0.79 HDAC1 (0.49) HDAC1HDAC6HDAC8HDAC5GAA
SCHEMBL16211511 0.79 HDAC6 (0.49) HDAC1HDAC6HDAC8HDAC5PIK3CA
SCHEMBL16211507 0.78 HDAC1 (0.48) HDAC1HDAC6HDAC8HDAC5HSD17B10
SCHEMBL16211656 0.78 HDAC6 (0.51) HDAC1HDAC6HDAC8ABL1BCR
SCHEMBL16213188 0.77 SLC2A1 (0.45) HDAC1HDAC6HDAC8ABL1BCR
SCHEMBL22217724 0.77 SLC2A1 (0.45) HDAC1HDAC6HDAC8ABL1BCR

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.