SCHEMBL1490946

SCHEMBL1490946

CC(C)(C)OC(=O)N(Nc1c([N+](=O)[O-])cnc2cc(Br)cnc12)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.35
AAK1 Q2M2I8 2/20 0.32
CYP2C19 P33261 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
GSTP1 P09211 1/20 0.31
GSTM2 P28161 1/20 0.31
PTGES O14684 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
SCHEMBL1491010 0.84 AAK1 (0.34) AAK1
SCHEMBL1490941 0.78 AAK1 (0.40) METAAK1SMN1; SMN2MAPTGSTP1
SCHEMBL1490785 0.76 ALDH1A1 (0.37) CYP2C19CYP1A2SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL1490847 0.76 ALDH1A1 (0.36) CYP2C19CYP1A2SMN1; SMN2MAPT
SCHEMBL1490885 0.73 LMNA (0.33) CYP2C19GAALMNACYP1A2SMN1; SMN2
SCHEMBL26310184 0.71 AAK1 (0.37) METAAK1CYP2C19GAALMNA
SCHEMBL1490888 0.70 MAPT (0.33) METCYP2C19GAALMNACYP1A2
SCHEMBL5799069 0.70 PTGES (0.38) METAAK1GAALMNASMN1; SMN2
SCHEMBL5415676 0.70 NPC1 (0.46) METAAK1GAASMN1; SMN2MAPT
SCHEMBL3162668 0.69 GSTM2 (0.38) GAALMNASMN1; SMN2MAPTGSTM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 US disclosed
WO-2006038923-A2 ARYL SUBSTITUTED IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-13 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 (1 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-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 MET 930/4885AAK1 2808/4885CYP2C19 2629/4885

“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.