SCHEMBL6419647

SCHEMBL6419647

COc1ccccc1Nc1nc2nonc2nc1N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MAPT P10636 13/20 0.50
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 4/20 0.49
PKM P14618 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ALDH1A1 P00352 10/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
PABPC1 P11940 1/20 0.46
EIF4H Q15056 1/20 0.46

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 1.00 GAA (0.52) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21610044 0.86 GAA (0.55) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13310246 0.78 KMT2A (0.49) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6419654 0.74 KMT2A (0.43) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6414365 0.74 GAA (0.55) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8266101 0.73 KMT2A (0.44) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6436752 0.73 KMT2A (0.44) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13310239 0.72 KMT2A (0.47) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20569973 0.72 ALDH1A1 (0.69) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6414744 0.70 ALDH1A1 (0.46) GAAMAPTMEN1KMT2ASMN1; SMN2

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 GAA 3186/4885MAPT 4420/4885MEN1 4392/4885

“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.