SCHEMBL22868031

SCHEMBL22868031

Cc1c(O)c(=O)ccn1C(C)(C)CC(C)(C)Cn1cc(-c2ccc(N(C)C)cc2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC3 O15379 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC10 Q969S8 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
APP P05067 5/20 0.34
NR1H4 Q96RI1 1/20 0.34
SRC P12931 2/20 0.34
GGPS1 O95749 1/20 0.32
NEU4 Q8WWR8 2/20 0.32
NEU3 Q9UQ49 2/20 0.32
NEU2 Q9Y3R4 1/20 0.32

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
SCHEMBL22868111 0.90 SRC (0.43) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL22868154 0.89 GGPS1 (0.42) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL22868120 0.88 GGPS1 (0.43) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL25983194 0.88 HSP90AA1 (0.43) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL22868156 0.88 HDAC1 (0.38) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL22868174 0.83 SRC (0.43) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL22868181 0.82 HDAC3 (0.44) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL25983242 0.81 SRC (0.34) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL22868131 0.81 HDAC8 (0.41) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL22868051 0.80 L3MBTL1 (0.39) HDAC8HDAC6HDAC1HDAC2HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION (US) 2023-05-23 US disclosed
US-20210000811-A1 3-(HYDROXY)-PYRIDIN-4(1H)-ONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GEORGIA TECH RESEARCH CORPORATION (US) 2021-01-07 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 (2 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-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same KDM1B, KDM3A, KDM1A HDAC8 194/4885HDAC6 2960/4885HDAC1 212/4885
US-20210000811-A1 3-(HYDROXY)-PYRIDIN-4(1H)-ONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME KDM1B, KDM3A, KDM1A HDAC8 194/4885HDAC6 2960/4885HDAC1 212/4885

“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.