SCHEMBL5333576

SCHEMBL5333576

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
CDK5 Q00535 3/20 0.42
CDK5R1 Q15078 3/20 0.42
POLB P06746 4/20 0.41
KMT2A Q03164 5/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
TTR P02766 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
PIN1 Q13526 1/20 0.37

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
SCHEMBL4769141 0.93 POLB (0.40) MAPTCDK5CDK5R1POLBKMT2A
SCHEMBL4837631 0.92 LMNA (0.38) MAPTCDK5CDK5R1POLBKMT2A
SCHEMBL4769051 0.91 LMNA (0.37) MAPTCDK5CDK5R1POLBKMT2A
SCHEMBL4771390 0.91 LMNA (0.37) MAPTCDK5CDK5R1POLBKMT2A
SCHEMBL4829956 0.88 MAPT (0.41) MAPTKMT2ALMNATP53ALDH1A1
SCHEMBL4773614 0.88 MAPT (0.47) MAPTPOLBKMT2ALMNATP53
SCHEMBL4835830 0.86 KDM4E (0.39) MAPTPOLBKMT2ALMNATP53
SCHEMBL4768129 0.86 PIN1 (0.40) MAPTKMT2ALMNATP53ALDH1A1
Hydrochloric Acid SCHEMBL4773467 0.86 PIN1 (0.40) MAPTKMT2ALMNATP53ALDH1A1
SCHEMBL4765985 0.85 PIN1 (0.39) MAPTKMT2ALMNATP53ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 4044/4885CDK5 2019/4885CDK5R1 1370/4885
US-20050032830-A1 Immunology for viral diseases and biosynthesis of cytokines of anticancer drugs for tumors IL2, IFNG, TSLP MAPT 4354/4885CDK5 2017/4885CDK5R1 1547/4885
US-20040010007-A1 Ether substituted imidazopyridines IL2, IL4, MYD88 MAPT 4044/4885CDK5 2019/4885CDK5R1 1370/4885

“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.