SCHEMBL22276804

SCHEMBL22276804

CNC(=O)Cn1cc(-c2ccc(OC)cc2)nn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.60
HDAC4 P56524 4/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC10 Q969S8 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
SNCA P37840 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SRC P12931 3/20 0.53
HSP90AA1 P07900 2/20 0.50
HSP90AB1 P08238 2/20 0.50
PTGS2 P35354 2/20 0.50

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
SCHEMBL22276772 0.86 SRC (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22276939 0.85 SRC (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22276802 0.85 SRC (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22276921 0.84 SRC (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22276931 0.83 MEN1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22276774 0.83 HDAC8 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30531814 0.82 SRC (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22276925 0.82 OGT (0.53) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL22276934 0.82 PTGS2 (0.50) SRCHSP90AA1HSP90AB1PTGS2NEU2
SCHEMBL20341414 0.79 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2023-10-03 US disclosed
US-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2020-07-30 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-20200239512-A1 METHODS OF PREVENTING OR TREATING ATHEROSCLEROSIS WITH INHIBITORS OF SPECIFIC ISOENZYMES OF HUMAN NEURAMINIDASE NEU1, NEU3, NEU2 HDAC3 750/4885HDAC4 1469/4885HDAC1 552/4885
US-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase NEU1, NEU3, NEU2 HDAC3 750/4885HDAC4 1469/4885HDAC1 552/4885

“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.