SCHEMBL4157332

SCHEMBL4157332

CC(C)(N)C(N)c1c([N+](=O)[O-])cnc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 10/20 0.37
MAPT P10636 9/20 0.37
KDM4E B2RXH2 6/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
LMNA P02545 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
CTSB P07858 3/20 0.37
HSP90AA1 P07900 3/20 0.37
HTT P42858 3/20 0.37
IDO1 P14902 2/20 0.37
TDO2 P48775 2/20 0.37
OPRK1 P41145 2/20 0.37
CASP6 P55212 2/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 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
SCHEMBL203781 0.74 PDE10A (0.50) PDE10AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4157336 0.73 PDE10A (0.39) PDE10AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL3862001 0.73 PTGES (0.42) SMN1; SMN2MAPTLMNA
SCHEMBL3861252 0.73 PIN1 (0.38) MAPTTHRB
SCHEMBL25361030 0.72 PIN1 (0.31) MAPT
SCHEMBL192421 0.71 ALDH1A1 (0.53) PDE10AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL191920 0.71 MAPT (0.60) PDE10AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4782273 0.70 MEN1 (0.46) PDE10AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5344692 0.70 POLB (0.40) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL1897205 0.68 MAPT (0.41) PDE10AMEN1KMT2ASMN1; SMN2POLB

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-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8343993-B2 Hydroxyalkyl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-01 US disclosed
US-20090253695-A1 Hydroxyalkyl Substituted Imidazonaphthyridines COLEY PHARMACEUTICAL GROUP, INC, (US) 2009-10-08 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 US disclosed
EP-1851220-A2 HYDROXYALKYL SUBSTITUTED IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-11-07 EP disclosed
EP-1850849-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON Coley Pharmaceutical Group, Inc. (US) 2007-11-07 EP disclosed
WO-2006091647-A2 METHOD OF PREFERENTIALLY INDUCING THE BIOSYNTHESIS OF INTERFERON COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO disclosed
WO-2006091568-A2 HYDROXYALKYL SUBSTITUTED IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 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 (2 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-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 PDE10A 2392/4885MEN1 4113/4885KMT2A 2737/4885
US-20090253695-A1 Hydroxyalkyl Substituted Imidazonaphthyridines IFNG, IFNAR1, IRF3 PDE10A 3394/4885MEN1 4587/4885KMT2A 2533/4885

“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.