SCHEMBL4768129

SCHEMBL4768129

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.40
LMNA P02545 5/20 0.38
TP53 P04637 1/20 0.38
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
MAOA P21397 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADORA2A P29274 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
HTR2B P41595 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTT P42858 4/20 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
SCHEMBL4776829 0.99 PIN1 (0.39) PIN1LMNATP53DRD2DRD3
SCHEMBL4765985 0.99 PIN1 (0.39) PIN1LMNATP53DRD2DRD3
Hydrochloric Acid SCHEMBL4773467 0.96 PIN1 (0.40) PIN1LMNATP53DRD2DRD3
SCHEMBL4837631 0.89 LMNA (0.38) PIN1LMNATP53DRD2DRD3
SCHEMBL4829956 0.89 MAPT (0.41) PIN1LMNATP53DRD2DRD3
SCHEMBL4769051 0.88 LMNA (0.37) PIN1LMNATP53DRD2DRD3
SCHEMBL4771390 0.88 LMNA (0.37) PIN1LMNATP53DRD2DRD3
SCHEMBL4769141 0.88 POLB (0.40) PIN1LMNATP53DRD2DRD3
SCHEMBL4773614 0.87 MAPT (0.47) PIN1LMNATP53DRD2DRD3
SCHEMBL5333576 0.86 MAPT (0.42) PIN1LMNATP53HTTSMN1; SMN2

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 10 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
CN-1674894-A Ether substituted imidazopyridines 3M INNOVATIVE PROPERTIES CO (US) 2005-09-28 CN 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 PIN1 611/4885LMNA 4400/4885TP53 226/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP PIN1 553/4885LMNA 4818/4885TP53 111/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 PIN1 611/4885LMNA 4400/4885TP53 226/4885

“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.