SCHEMBL6419654

SCHEMBL6419654

COc1ccccc1Nc1nc2nonc2nc1NN=C(C1=COCO1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.39
MAPK1 P28482 4/20 0.39
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NR1I2 O75469 1/20 0.35
AHR P35869 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
EIF4E P06730 2/20 0.35

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
SCHEMBL6419651 0.74 GAA (0.52) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL6419647 0.74 GAA (0.52) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL20569973 0.71 ALDH1A1 (0.69) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL6417842 0.68 KMT2A (0.49) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL21500009 0.66 KMT2A (0.62) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL22542862 0.65 KMT2A (0.60) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL1052865 0.65 MAPT (0.35) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL6414365 0.65 GAA (0.55) KMT2AMEN1L3MBTL1ALDH1A1POLB
SCHEMBL26034948 0.64 POLB (0.56) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL2464563 0.63 MEN1 (1.00) KMT2AMEN1L3MBTL1ALDH1A1GAA

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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 KMT2A 3640/4885MEN1 4392/4885L3MBTL1 4879/4885

“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.