SCHEMBL4834677

SCHEMBL4834677

COc1cccc(CNCCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.44
CHRM2 P08172 1/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
BCHE P06276 3/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD4 P21917 1/20 0.39
RAD52 P43351 1/20 0.38
PAX8 Q06710 1/20 0.38
ACP1 P24666 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6221322 0.97 BCHE (0.43) SCN8ACHRM2TP53POLBMAPT
Trifluoroacetic Acid SCHEMBL4843769 0.93 KMT2A (0.43) SCN8ABCHEKDM4EMEN1ALDH1A1
SCHEMBL4846224 0.91 SLC2A1 (0.44) SCN8ACHRM2HTR2AKDM4EALDH1A1
SCHEMBL4839100 0.88 PPARG (0.49) KDM4EMEN1KMT2ADRD4HDAC6
SCHEMBL5256661 0.88 ADRA1D (0.41) CHRM2MAPTDRD4
SCHEMBL4842323 0.85 ALDH1A1 (0.45) ALDH1A1KMT2A
SCHEMBL4838750 0.85 HRH4 (0.44) SCN8ACHRM2TP53POLBHTR2A
SCHEMBL5258914 0.85 MAPT (0.48) TP53POLBMAPTKDM4EMEN1
SCHEMBL4844225 0.84 HDAC6 (0.38) DRD4HDAC6
SCHEMBL4844110 0.83 AKT1 (0.44) SCN8ACHRM2BCHEHTR2AHTR2C

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 SCN8A 1907/4885CHRM2 268/4885TP53 2698/4885

“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.