SCHEMBL4773502

SCHEMBL4773502

Cc1nc(Cl)c([N+](=O)[O-])c(NCCOCc2ccncc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.38
POLB P06746 4/20 0.34
LMNA P02545 4/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 6/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RECQL P46063 1/20 0.31
PDE10A Q9Y233 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
AKT2 P31751 1/20 0.31
ALDH1A1 P00352 3/20 0.31
F2 P00734 1/20 0.30
PIN1 Q13526 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL4776209 0.91 LMNA (0.41) MGMTLMNATP53GAAHTT
SCHEMBL4841863 0.83 NPC1 (0.38) MGMTPOLBLMNATP53GAA
SCHEMBL5340881 0.79 MAPT (0.37) MGMTLMNATP53MAPTSMN1; SMN2
SCHEMBL4775893 0.78 MAPT (0.48) POLBLMNATP53GAAHTT
SCHEMBL4775144 0.76 MGMT (0.41) MGMTPOLBMAPTSMN1; SMN2PRKACA
SCHEMBL4775385 0.76 POLB (0.41) POLBLMNAHTTMAPTSMN1; SMN2
SCHEMBL4772531 0.76 POLB (0.41) POLBLMNATP53GAAHTT
SCHEMBL4766860 0.76 LMNA (0.41) MGMTPOLBLMNATP53GAA
SCHEMBL4791877 0.76 MGMT (0.33) MGMTALDH1A1
SCHEMBL5333093 0.75 POLB (0.31) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
US-7220758-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-22 US disclosed
US-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY 2006-11-09 US disclosed
US-7125890-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-24 US disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors 3M INNOVATIVE PROPERTIES COMPANY 2005-02-10 US disclosed
US-6797718-B2 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-28 US disclosed
US-20040010007-A1 Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-15 US disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO 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 (3 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-20060252792-A1 ETHER SUBSTITUTED IMIDAZOPYRIDINES IL2, IL4, MYD88 MGMT 452/4885POLB 3686/4885LMNA 4400/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP MGMT 1240/4885POLB 3743/4885LMNA 4818/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 MGMT 452/4885POLB 3686/4885LMNA 4400/4885

“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.