SCHEMBL4769141

SCHEMBL4769141

Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCCCO)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
RAD52 P43351 1/20 0.40
LMNA P02545 4/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL4837631 0.97 LMNA (0.38) POLBRAD52LMNATP53ALDH1A1
SCHEMBL4771390 0.96 LMNA (0.37) POLBRAD52LMNATP53ALDH1A1
SCHEMBL4769051 0.96 LMNA (0.37) POLBRAD52LMNATP53ALDH1A1
SCHEMBL5333576 0.93 MAPT (0.42) POLBRAD52LMNATP53ALDH1A1
SCHEMBL4829956 0.90 MAPT (0.41) LMNATP53ALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL4773467 0.88 PIN1 (0.40) LMNATP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4768129 0.88 PIN1 (0.40) LMNATP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4765985 0.87 PIN1 (0.39) LMNATP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4776829 0.87 PIN1 (0.39) LMNATP53ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4773614 0.86 MAPT (0.47) POLBLMNATP53SMN1; SMN2KMT2A

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 3686/4885RAD52 3451/4885LMNA 4400/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP POLB 3743/4885RAD52 4160/4885LMNA 4818/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 POLB 3686/4885RAD52 3451/4885LMNA 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.