SCHEMBL563117

SCHEMBL563117

C#CCNc1c(C)c(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
GPX4 P36969 1/20 0.36
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL13527456 0.82 POLB (0.42) POLBMAPTLMNATP53MAPK1
SCHEMBL4772531 0.81 POLB (0.41) POLBMAPTLMNATP53MAPK1
SCHEMBL4776141 0.80 POLB (0.43) POLBMAPTTDP1ALDH1A1GAA
SCHEMBL2059190 0.80 POLB (0.46) POLBMAPTMAPK1TDP1HTT
SCHEMBL27614131 0.79 MAPT (0.43) POLBMAPTMAPK1TDP1ALDH1A1
SCHEMBL14419215 0.79 POLB (0.43) POLBMAPTLMNAMAPK1HTT
SCHEMBL4777754 0.78 MAPT (0.43) POLBMAPTMAPK1TDP1HTT
SCHEMBL3172845 0.78 POLB (0.42) POLBMAPTLMNATDP1HTT
SCHEMBL6219208 0.78 POLB (0.39) POLBLMNA
SCHEMBL4773797 0.77 POLB (0.41) POLBMAPTMAPK1TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods PFIZER INC. (US) 2012-02-09 US disclosed
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. 2010-06-17 US disclosed
CN-101253173-A Hydroxy substituted 1H-imidazopyridines and methods PFIZER (US) 2008-08-27 CN disclosed
EP-1924581-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS Pfizer, Inc. (US) 2008-05-28 EP disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 US disclosed
WO-2007028129-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS PFIZER INC. (US) 2007-03-08 WO disclosed
WO-2006065280-A2 ISOXAZOLE, DIHYDROISOXAZOLE, AND OXADIAZOLE SUBSTITUTED IMIDAZO RING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-06-22 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-20100152230-A1 HYDROXY SUBSTITUTED 1H-IMIDAZOPYRIDINES AND METHODS IL4, IL2, IL4I1 POLB 1931/4885MAPT 4506/4885GPX4 2239/4885
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 POLB 1578/4885MAPT 4324/4885GPX4 1390/4885
US-20120035209-A1 Hydroxy Substituted 1H-Imidazopyridines and Methods IL2, IL4, IL4I1 POLB 1941/4885MAPT 4506/4885GPX4 2343/4885

“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.