SCHEMBL4765985

SCHEMBL4765985

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.39
LMNA P02545 5/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
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

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 1.00 PIN1 (0.39) PIN1LMNATP53HTTSMN1; SMN2
SCHEMBL4768129 0.99 PIN1 (0.40) PIN1LMNATP53HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4773467 0.95 PIN1 (0.40) PIN1LMNATP53HTTSMN1; SMN2
SCHEMBL4769051 0.90 LMNA (0.37) PIN1LMNATP53HTTSMN1; SMN2
SCHEMBL4771390 0.90 LMNA (0.37) PIN1LMNATP53HTTSMN1; SMN2
SCHEMBL4837631 0.88 LMNA (0.38) PIN1LMNATP53HTTSMN1; SMN2
SCHEMBL4829956 0.88 MAPT (0.41) PIN1LMNATP53HTTSMN1; SMN2
SCHEMBL4769141 0.87 POLB (0.40) PIN1LMNATP53HTTSMN1; SMN2
SCHEMBL4773614 0.86 MAPT (0.47) PIN1LMNATP53HTTSMN1; SMN2
SCHEMBL5333576 0.85 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 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 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.