SCHEMBL5362495

SCHEMBL5362495

CCc1ccc(NC(=O)CBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
KMT2A Q03164 5/20 0.58
ATM Q13315 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
SRC P12931 1/20 0.56
RAB9A P51151 5/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 3/20 0.53

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
SCHEMBL9312728 0.86 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15267699 0.85 KMT2A (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12807727 0.84 GAA (0.61) KMT2AATMSMN1; SMN2HPGDRAB9A
SCHEMBL826066 0.84 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4787002 0.82 KMT2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8667875 0.82 KMT2A (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9843050 0.81 TP53 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13381412 0.81 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8324087 0.81 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1031451 0.81 HDAC3 (0.60) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716344-B 2- ((2-acetamidophenyl) amino) acetamido compound and preparation method and application thereof 湖南科技大学 2023-12-22 CN disclosed
CN-114409657-B 4-aryl (methyl) imidazoline quinoxalinone compound and preparation method and application thereof 湖南科技大学 2023-02-24 CN disclosed
CN-114716344-A 2- ((2-acetamidophenyl) amino) acetyl arylamine compound and preparation method and application thereof 湖南科技大学 2022-07-08 CN disclosed
CN-114409657-A 4-aryl (methyl) imidazoline quinoxalinone compound and preparation method and application thereof 湖南科技大学 2022-04-29 CN disclosed
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
US-20070105810-A1 THERAPEUTICS POTTER BARRY V L 2007-05-10 US disclosed
EP-1689714-A2 THERAPEUTIC USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2006-08-16 EP disclosed
WO-2005054198-A2 THERAPEUTICS USE OF PYRIDINIUM COMPOUNDS TO MODULATE NAADP ACTIVITY UNIVERSITY OF BATH (GB) 2005-06-16 WO 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-20070105810-A1 THERAPEUTICS RYR1, ATP2A1, CACNA1E HDAC3 761/4885HDAC4 1157/4885HDAC1 793/4885

“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.