SCHEMBL3450447

SCHEMBL3450447

Cc1cc(-n2ccccc2=O)ccc1NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ATM Q13315 1/20 0.45
MAPT P10636 6/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
F10 P00742 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
MGLL Q99685 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3448408 0.88 GAA (0.47) GAAATMF10
SCHEMBL17372922 0.74 HTT (0.56) GAAATMMAPTLMNAHTT
SCHEMBL3448720 0.73 GAA (0.44) GAAATMMAPTLMNAHTT
SCHEMBL30475420 0.73 GAA (0.58) GAAATMMAPTLMNAHTT
SCHEMBL30475423 0.73 GAA (0.58) GAAATMMAPTLMNAHTT
SCHEMBL85578 0.71 SCN2A (0.54) GAAATMMAPTLMNAHTT
SCHEMBL25854658 0.70 GAA (0.55) GAAATMMAPTLMNAHTT
SCHEMBL85896 0.70 HPGD (0.52) GAAMAPTLMNAMEN1KMT2A
SCHEMBL13397217 0.69 GAA (0.71) GAAATMMAPTLMNAHTT
SCHEMBL10490009 0.69 GAA (0.51) GAAATMMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 US disclosed
EP-1877404-A2 NOVEL CYCLIC AMINES F. Hoffmann-Roche AG (CH) 2008-01-16 EP disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 WO disclosed
US-20060247238-A1 Cyclic amines F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 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 (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-20060247238-A1 Cyclic amines F12, F11, F2 GAA 1142/4885ATM 793/4885MAPT 4282/4885

“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.