SCHEMBL4775385

SCHEMBL4775385

CC(=O)OCCNc1c(C)c(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.41
MAPT P10636 10/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 6/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MITF O75030 2/20 0.36
XBP1 P17861 1/20 0.36
BLM P54132 1/20 0.36
RECQL P46063 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PKM P14618 2/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
OPRK1 P41145 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
SCHEMBL4776141 0.82 POLB (0.43) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL14419215 0.81 POLB (0.43) POLBMAPTLMNAALDH1A1MEN1
SCHEMBL4772531 0.80 POLB (0.41) POLBMAPTLMNAALDH1A1PKM
SCHEMBL4011042 0.80 TOP2A (0.46) POLBMAPTLMNAHPGDALDH1A1
SCHEMBL3172845 0.80 POLB (0.42) POLBMAPTLMNAHPGDALDH1A1
SCHEMBL13527456 0.79 POLB (0.42) POLBMAPTLMNAALDH1A1PKM
SCHEMBL4773797 0.79 POLB (0.41) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL5334549 0.78 POLB (0.39) POLBTDP1
SCHEMBL4835830 0.78 KDM4E (0.39) POLBMAPTLMNAHPGDALDH1A1
SCHEMBL4775893 0.78 MAPT (0.48) POLBMAPTLMNAALDH1A1MEN1

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 POLB 3686/4885MAPT 4044/4885LMNA 4400/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP POLB 3743/4885MAPT 4354/4885LMNA 4818/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 POLB 3686/4885MAPT 4044/4885LMNA 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.