SCHEMBL4834799

SCHEMBL4834799

NCCCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLG P00747 4/20 0.43
PLAU P00749 4/20 0.43
HDAC3 O15379 9/20 0.42
HDAC4 P56524 9/20 0.42
HDAC1 Q13547 9/20 0.42
HDAC7 Q8WUI4 9/20 0.42
HDAC2 Q92769 9/20 0.42
HDAC10 Q969S8 9/20 0.42
HDAC11 Q96DB2 9/20 0.42
HDAC8 Q9BY41 9/20 0.42
HDAC6 Q9UBN7 9/20 0.42
HDAC9 Q9UKV0 9/20 0.42
HDAC5 Q9UQL6 9/20 0.42
CHEK2 O96017 3/20 0.42
SYK P43405 1/20 0.41
CYP1B1 Q16678 1/20 0.40
ACHE P22303 2/20 0.39

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
SCHEMBL4834932 0.89 ADORA2A (0.46) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL4843809 0.88 CHEK2 (0.50) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL4837489 0.86 ACHE (0.41) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL13607862 0.85 HDAC6 (0.41) PLGPLAUHDAC3HDAC4HDAC1
SCHEMBL4842140 0.85 CHEK2 (0.53) HDAC6CHEK2ACHE
SCHEMBL4839519 0.84 ACHE (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4845667 0.82 CHEK2 (0.55) CHEK2ACHE
SCHEMBL4842957 0.81 JAK1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2973958 0.81 ACHE (0.60) HDAC6ACHE
SCHEMBL4834824 0.81 CHEK2 (0.56) CHEK2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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 (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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 PLG 3287/4885PLAU 3589/4885HDAC3 919/4885

“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.