SCHEMBL4795307

SCHEMBL4795307

Cc1cc(NCCOCc2ccccc2)c([N+](=O)[O-])c(Oc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
NCF1 P14598 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 3/20 0.38
MGMT P16455 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL4794120 0.84 NCF1 (0.40) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL5339398 0.84 ACP1 (0.39) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6713344 0.82 CYP2C19 (0.42) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL4766860 0.82 LMNA (0.41) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6218914 0.80 MAPT (0.41) MAPTSMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL4841863 0.77 NPC1 (0.38) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4774106 0.76 ALDH1A1 (0.44) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6094256 0.75 BRD4 (0.44)
SCHEMBL4610708 0.73 MAPT (0.43) MAPTSMN1; SMN2MEN1KMT2AATM
SCHEMBL4791531 0.71 MAPT (0.47) MAPTSMN1; SMN2CYP1A2CYP2C19NCF1

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 MAPT 4044/4885NPC1 3237/4885RAB9A 3015/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP MAPT 4354/4885NPC1 3418/4885RAB9A 2659/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 MAPT 4044/4885NPC1 3237/4885RAB9A 3015/4885

“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.