SCHEMBL6416845

SCHEMBL6416845

Cc1cccc(Nc2nc3nonc3nc2N/N=C/c2cc([N+](=O)[O-])ccc2O)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.53
KMT2A Q03164 14/20 0.51
MEN1 O00255 13/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 5/20 0.51
MAPT P10636 12/20 0.50
SMN1; SMN2 Q16637 8/20 0.50
HTT P42858 7/20 0.50
GAA P10253 4/20 0.50
TP53 P04637 4/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
XBP1 P17861 1/20 0.50
L3MBTL1 Q9Y468 8/20 0.48
LMNA P02545 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 6/20 0.47
TDP1 Q9NUW8 5/20 0.47
HSP90AA1 P07900 1/20 0.47
ADAM17 P78536 1/20 0.47

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
SCHEMBL3046026 1.00 BIRC5 (0.53) BIRC5KMT2AMEN1NPC1RAB9A
SCHEMBL3046030 1.00 BIRC5 (0.53) BIRC5KMT2AMEN1NPC1RAB9A
SCHEMBL25645288 0.84 KMT2A (0.52) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3045614 0.80 MEN1 (0.52) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL21610044 0.80 GAA (0.55) BIRC5KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6439892 0.78 KMT2A (0.51) BIRC5KMT2AMEN1NPC1RAB9A
SCHEMBL13310238 0.78 KMT2A (0.51) BIRC5KMT2AMEN1NPC1RAB9A
SCHEMBL6416856 0.77 MAPT (0.47) BIRC5KMT2AMEN1NPC1MAPT
SCHEMBL13905878 0.76 BIRC5 (0.52) BIRC5KMT2AMEN1NPC1RAB9A
SCHEMBL8265004 0.73 GAA (0.56) BIRC5KMT2AMEN1NPC1RAB9A

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 BIRC5 2525/4885KMT2A 3640/4885MEN1 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.