SCHEMBL5483065

SCHEMBL5483065

O=C(C=Cc1ccccc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
LMNA P02545 6/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
GRM5 P41594 1/20 0.61
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.52
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL5480273 0.90 MAPT (0.70) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL5480277 0.90 MAPT (0.70) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL5487127 0.88 LMNA (0.52) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL5483941 0.88 MAPT (0.57) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL5487131 0.88 LMNA (0.52) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL5483943 0.88 MAPT (0.57) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL4563772 0.82 CYP1A2 (0.69) MAPTLMNAALDH1A1GRM5CYP1A2
SCHEMBL5486932 0.80 LMNA (0.54) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL5486927 0.80 LMNA (0.54) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL781659 0.79 CYP1A2 (0.87) MAPTLMNAALDH1A1GRM5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 US claimed
US-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-03-01 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-20070049578-A1 Cinnamamide compounds as metabotropic glutamate receptor antagonists GRM5, GRM1, GRM3 MAPT 1549/4885LMNA 3693/4885ALDH1A1 1232/4885

“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.