SCHEMBL25980903

SCHEMBL25980903

COc1cc(-c2cccc(N(Cc3ccc(C(=O)NOI)cc3)C(=O)N3CCOCC3)c2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ERN1 O75460 1/20 0.42
POLB P06746 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38
AOC3 Q16853 1/20 0.38
MAPT P10636 2/20 0.38
SMO Q99835 1/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL16211410 0.92 HDAC1 (0.44) HDAC1HDAC8HDAC6ERN1POLB
SCHEMBL25979215 0.91 MLYCD (0.41) HDAC1HDAC8HDAC6POLBKMT2A
SCHEMBL16211721 0.90 HDAC1 (0.46) HDAC1HDAC8HDAC6ERN1POLB
SCHEMBL25980822 0.85 HDAC1 (0.46) HDAC1HDAC8HDAC6KMT2AMEN1
SCHEMBL25981778 0.85 SMN1; SMN2 (0.49) HDAC1HDAC8HDAC6ALDH1A1HPGD
SCHEMBL25980828 0.84 HDAC1 (0.46) HDAC1HDAC8HDAC6ALDH1A1AOC3
SCHEMBL25980840 0.84 HDAC6 (0.47) HDAC1HDAC8HDAC6AOC3
SCHEMBL25980858 0.84 HDAC6 (0.47) HDAC1HDAC8HDAC6AOC3
SCHEMBL25980892 0.83 HDAC1 (0.46) HDAC1HDAC8HDAC6POLBKMT2A
SCHEMBL25979536 0.83 NR1H4 (0.46) HDAC1HDAC8HDAC6KMT2AMEN1

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 1635/4885HDAC8 2983/4885HDAC6 997/4885

“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.