SCHEMBL22276802

SCHEMBL22276802

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.52
NEU1 Q99519 1/20 0.48
NEU2 Q9Y3R4 1/20 0.48
ALOX5 P09917 1/20 0.47
UCHL5 Q9Y5K5 2/20 0.46
UCHL1 P09936 1/20 0.46
UCHL3 P15374 1/20 0.46
HDAC3 O15379 8/20 0.45
HDAC4 P56524 8/20 0.45
HDAC1 Q13547 8/20 0.45
HDAC7 Q8WUI4 8/20 0.45
HDAC2 Q92769 8/20 0.45
HDAC10 Q969S8 8/20 0.45
HDAC11 Q96DB2 8/20 0.45
HDAC8 Q9BY41 8/20 0.45
HDAC6 Q9UBN7 8/20 0.45
HDAC9 Q9UKV0 8/20 0.45
HDAC5 Q9UQL6 8/20 0.45
NR1H4 Q96RI1 1/20 0.43
PLK1 P53350 1/20 0.42

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 0.87 SRC (0.68) SRCNEU2HDAC3HDAC4HDAC1
SCHEMBL22276939 0.86 SRC (0.52) SRCNEU2HDAC3HDAC4HDAC1
SCHEMBL22276804 0.85 HDAC3 (0.60) SRCNEU2HDAC3HDAC4HDAC1
SCHEMBL22276921 0.85 SRC (0.58) SRCALOX5HDAC3HDAC4HDAC1
SCHEMBL22276774 0.84 HDAC8 (0.61) SRCNEU2HDAC3HDAC4HDAC1
SCHEMBL22276925 0.83 OGT (0.53) SRCNEU1NEU2UCHL5HDAC3
SCHEMBL22276934 0.83 PTGS2 (0.50) SRCNEU2NR1H4
SCHEMBL22276803 0.82 SRC (0.54) SRCNEU1NEU2ALOX5UCHL5
SCHEMBL26355712 0.76 HDAC3 (0.69) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL30531816 0.76 SRC (0.67) SRCALOX5UCHL5UCHL1UCHL3

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 SRC 4128/4885NEU1 1/4885NEU2 3/4885
US-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase NEU1, NEU3, NEU2 SRC 4128/4885NEU1 1/4885NEU2 3/4885

“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.