SCHEMBL4841712

SCHEMBL4841712

Cc1c(Cl)cnc2[nH]c(-c3ccc(OCCN4CCOCC4)c([N+](=O)[O-])c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADORA2A P29274 3/20 0.46
IKBKE Q14164 1/20 0.45
TBK1 Q9UHD2 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAP3K11 Q16584 2/20 0.42
GAA P10253 1/20 0.42
CHEK1 O14757 1/20 0.42
KMO O15229 3/20 0.42
MAPT P10636 1/20 0.41
ACHE P22303 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 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
SCHEMBL4834141 0.82 TBK1 (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4835094 0.81 ADORA2A (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5260668 0.77 MAP3K11 (0.42) ADORA2AIKBKETBK1MAP3K11KMO
SCHEMBL4834855 0.75 GRK6 (0.41) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4837512 0.75 NPBWR1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4842205 0.74 IKBKE (0.41) KDM4EALDH1A1SMN1; SMN2IKBKETBK1
SCHEMBL5263227 0.74 IKBKE (0.41) KDM4EALDH1A1SMN1; SMN2IKBKETBK1
SCHEMBL5262429 0.74 MAP3K11 (0.39) ADORA2AIKBKETBK1MAP3K11KMO
SCHEMBL4834982 0.73 MAPT (0.39) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4841957 0.73 TBK1 (0.64) KDM4EALDH1A1NPC1RAB9AADORA2A

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 KDM4E 2903/4885ALDH1A1 1489/4885NPC1 2655/4885

“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.