SCHEMBL4273252

SCHEMBL4273252

CC(NC(=O)OC(C)(C)C)Nc1ncccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 6/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GSTP1 P09211 1/20 0.40
GSTM2 P28161 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL552157 0.84 LMNA (0.51) LMNAALDH1A1POLBTDP1MAPT
SCHEMBL4269459 0.81 TRPA1 (0.41) ALDH1A1MAPTRAB9AMAPK1SMN1; SMN2
SCHEMBL6326856 0.81 POLB (0.52) LMNAALDH1A1POLBTDP1MAPT
SCHEMBL31477173 0.81 ALDH1A1 (0.45) LMNAALDH1A1POLBTDP1MAPT
SCHEMBL31343879 0.80 KMT2A (0.51) LMNAALDH1A1POLBTDP1MAPT
SCHEMBL646896 0.80 KMT2A (0.49) LMNAALDH1A1POLBTDP1MAPT
SCHEMBL31477122 0.78 MAPT (0.46) LMNAALDH1A1POLBTDP1MAPT
SCHEMBL31477549 0.78 MAPT (0.46) LMNAALDH1A1POLBTDP1MAPT
SCHEMBL31503074 0.78 ALDH1A1 (0.43) LMNAALDH1A1POLBTDP1MAPT
SCHEMBL31503063 0.78 ALDH1A1 (0.43) LMNAALDH1A1POLBTDP1MAPT

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-7608717-B2 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-10-27 US disclosed
US-20080070943-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2008-03-20 US disclosed
US-7291736-B2 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-11-06 US disclosed
EP-1648891-A1 SULFONYLDIHYDROIMID- AZOPYRIDINONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2006-04-26 EP disclosed
WO-2005010003-A1 SULFONYLDIHYDROIMID- AZOPYRIDINONE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2005-02-03 WO disclosed
US-20050020596-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-01-27 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 (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-20080070943-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C LMNA 4217/4885ALDH1A1 1019/4885POLB 4854/4885
US-20050020596-A1 Sulfonyldihydroimidazopyridinone compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR2C LMNA 4217/4885ALDH1A1 1019/4885POLB 4854/4885

“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.