SCHEMBL22276772

SCHEMBL22276772

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.68
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
PLK1 P53350 1/20 0.55
GLA P06280 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PTGS2 P35354 2/20 0.48
NEU2 Q9Y3R4 1/20 0.48

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
SCHEMBL26355712 0.89 HDAC3 (0.69) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL22276802 0.87 SRC (0.52) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL22276939 0.87 SRC (0.52) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL22276921 0.86 SRC (0.58) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL22276804 0.86 HDAC3 (0.60) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL22276774 0.85 HDAC8 (0.61) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL22276934 0.84 PTGS2 (0.50) SRCPTGS2NEU2KDREPHB4
SCHEMBL22276925 0.84 OGT (0.53) SRCHDAC3HDAC1HDAC2HDAC10
SCHEMBL22276762 0.82 SRC (0.72) SRCHDAC3HDAC4HDAC1HDAC7
SCHEMBL29000057 0.81 GLA (0.60) SRCHDAC3HDAC4HDAC1HDAC7

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 4128/4885HDAC3 750/4885HDAC4 1469/4885
US-11773129-B2 Methods of preventing or treating atherosclerosis with inhibitors of specific isoenzymes of human neuraminidase NEU1, NEU3, NEU2 SRC 4128/4885HDAC3 750/4885HDAC4 1469/4885

“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.