SCHEMBL8291982

SCHEMBL8291982

O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccco1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
NPSR1 Q6W5P4 2/20 0.66
POLB P06746 2/20 0.66
NPC1 O15118 5/20 0.64
RAB9A P51151 4/20 0.64
KMT2A Q03164 5/20 0.63
LMNA P02545 3/20 0.63
DUSP3 P51452 1/20 0.63
PTPN5 P54829 1/20 0.63
PTPN11 Q06124 1/20 0.63
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 2/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 1/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C19 P33261 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HSP90AA1 P07900 1/20 0.60

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
SCHEMBL8290578 0.89 NPC1 (0.66) MAPTNPSR1POLBNPC1RAB9A
SCHEMBL21887104 0.81 MAPT (0.67) MAPTNPSR1NPC1RAB9AKMT2A
SCHEMBL30714864 0.81 MAPT (0.61) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL23698307 0.81 MAPT (0.67) MAPTNPSR1NPC1RAB9AKMT2A
SCHEMBL23698297 0.81 MAPT (0.67) MAPTNPSR1POLBNPC1RAB9A
SCHEMBL23698296 0.81 MAPT (0.67) MAPTNPSR1POLBNPC1RAB9A
SCHEMBL23698305 0.81 KMT2A (0.57) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL23698306 0.81 KMT2A (0.57) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL15917497 0.80 MAPT (0.80) MAPTNPSR1POLBNPC1RAB9A
SCHEMBL15917496 0.80 MAPT (0.80) MAPTNPSR1POLBNPC1RAB9A

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-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 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-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP MAPT 1400/4885NPSR1 303/4885POLB 1250/4885

“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.