SCHEMBL14419213

SCHEMBL14419213

CC(=O)CNc1c(C)c(C)n2nnnc2c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13527455 0.89 MEN1 (0.30) KMT2A
SCHEMBL5030340 0.84 SMN1; SMN2 (0.33) KMT2APOLBHTTALDH1A1
SCHEMBL5031360 0.83 PKM (0.31)
SCHEMBL4793343 0.83 MAPT (0.37) KMT2APOLBHTTKDM4EALDH1A1
SCHEMBL5034598 0.82 PKM (0.32)
SCHEMBL4243097 0.82 ALDH1A1 (0.34) KMT2APOLBHTTKDM4EALDH1A1
SCHEMBL5616460 0.81 MAPT (0.39) KMT2APOLBHTTALDH1A1
SCHEMBL5344051 0.80 GSTM2 (0.34) KMT2AHTTALDH1A1
SCHEMBL14419212 0.80 GRIN2D (0.30)
SCHEMBL13996162 0.80

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-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
US-8778963-B2 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-15 US disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2007-09-20 US disclosed
US-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-03 US disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 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 (5 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-20070072893-A1 Substituted imidazo ring systems and methods IL2, IRF3, EIF2AK2 KMT2A 4263/4885POLB 2587/4885HTT 4594/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 KMT2A 3717/4885POLB 1872/4885HTT 4530/4885
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES IL2, IL4, IFNG KMT2A 2054/4885POLB 2945/4885HTT 4393/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 KMT2A 3717/4885POLB 1872/4885HTT 4530/4885
US-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines IFNG, IRF3, IDO1 KMT2A 1578/4885POLB 1131/4885HTT 2867/4885

“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.