SCHEMBL4844110

SCHEMBL4844110

COc1ccccc1CNCCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.44
ATM Q13315 1/20 0.41
BRD4 O60885 2/20 0.41
BRD1 O95696 1/20 0.41
PARP1 P09874 1/20 0.41
BRD2 P25440 1/20 0.41
HDAC3 O15379 5/20 0.41
HDAC4 P56524 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC7 Q8WUI4 5/20 0.41
HDAC2 Q92769 5/20 0.41
HDAC10 Q969S8 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC9 Q9UKV0 5/20 0.41
HDAC5 Q9UQL6 5/20 0.41
SCN8A Q9UQD0 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL4840500 0.93 BRD4 (0.42) AKT1BRD4BRD1PARP1BRD2
SCHEMBL6245890 0.89 CYP2D6 (0.45) ACHE
SCHEMBL4843616 0.85
SCHEMBL4846224 0.85 SLC2A1 (0.44) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL4839100 0.84 PPARG (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4843210 0.84 ATM (0.50) AKT1ATM
SCHEMBL4834677 0.83 SCN8A (0.44) HDAC6SCN8AHTR2AHTR2CCHRM2
SCHEMBL4842957 0.83 JAK1 (0.40) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL6221322 0.81 BCHE (0.43) HDAC1HDAC6SCN8AHTR2AHTR2C
Trifluoroacetic Acid SCHEMBL4844154 0.81 ADRB1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US claimed
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 AKT1 231/4885ATM 620/4885BRD4 1398/4885

“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.