SCHEMBL4843946

SCHEMBL4843946

OCCN1CCN(CC(O)COc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
KDM4E B2RXH2 3/20 0.51
TP53 P04637 1/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
RAD52 P43351 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
USP2 O75604 3/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.41
ATM Q13315 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 SCHEMBL4844160 0.93 ALDH1A1 (0.49) ALDH1A1KDM4ETP53HTTMEN1
SCHEMBL4835082 0.91 NPSR1 (0.45) ALDH1A1KDM4EHTTSMN1; SMN2GLA
SCHEMBL4839497 0.91 NPSR1 (0.54) ALDH1A1KDM4EKMT2ASMN1; SMN2NPSR1
SCHEMBL4835006 0.90 KDM4E (0.44) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4839716 0.90 ATM (0.54) ALDH1A1KDM4EKMT2ASMN1; SMN2NPSR1
SCHEMBL6222365 0.89 NPSR1 (0.45) ALDH1A1KDM4EHTTGLANPSR1
SCHEMBL4835069 0.88 TSHR (0.58) ALDH1A1KDM4EKMT2ASMN1; SMN2USP2
SCHEMBL4838783 0.88 KMT2A (0.43) ALDH1A1MEN1KMT2ANPSR1USP2
SCHEMBL4834966 0.87 KMT2A (0.45) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL4839047 0.87 POLB (0.51) KDM4EHTTMEN1KMT2ASMN1; SMN2

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 ALDH1A1 1489/4885KDM4E 2903/4885TP53 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.