SCHEMBL4835006

SCHEMBL4835006

COCCN1CCN(CC(O)COc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 1/20 0.43
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 2/20 0.41
TBK1 Q9UHD2 1/20 0.41
BRD4 O60885 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
DRD3 P35462 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL4843551 0.93 ALDH1A1 (0.40) KDM4EGLAALDH1A1USP2NPSR1
SCHEMBL4843946 0.90 ALDH1A1 (0.54) KDM4EGLAALDH1A1USP2TSHR
SCHEMBL4835082 0.88 NPSR1 (0.45) KDM4EGLAALDH1A1USP2TSHR
SCHEMBL4839497 0.88 NPSR1 (0.54) KDM4EALDH1A1USP2TSHRNPSR1
SCHEMBL4846045 0.88 ACHE (0.52) ACHETBK1DRD3
SCHEMBL4839716 0.87 ATM (0.54) KDM4EALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL6222365 0.87 NPSR1 (0.45) KDM4EGLAALDH1A1USP2TSHR
SCHEMBL4839047 0.86 POLB (0.51) KDM4EGLAUSP2TSHRNPSR1
SCHEMBL4835069 0.86 TSHR (0.58) KDM4EALDH1A1USP2TSHRSMN1; SMN2
SCHEMBL4834966 0.85 KMT2A (0.45) KDM4EGLAALDH1A1USP2TSHR

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 KDM4E 2903/4885GLA 3284/4885ALDH1A1 1489/4885

“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.