SCHEMBL6414209

SCHEMBL6414209

Cc1cccc(Nc2nc3nonc3nc2NN=Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.47
KMT2A Q03164 10/20 0.47
MAPT P10636 8/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 2/20 0.47
SLC2A1 P11166 1/20 0.47
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
GAA P10253 4/20 0.47
HTT P42858 3/20 0.45
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6414202 1.00 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6414314 0.78 EGFR (0.43) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL6414320 0.78 EGFR (0.43) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL6501740 0.77 SMN1; SMN2 (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6501729 0.77 SMN1; SMN2 (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3058312 0.77 SMN1; SMN2 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3058317 0.77 SMN1; SMN2 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30754751 0.76 SMN1; SMN2 (0.55) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL3051395 0.76 SMN1; SMN2 (0.55) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL25645288 0.76 KMT2A (0.52) MEN1KMT2AMAPTALDH1A1SMN1; 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 MEN1 4392/4885KMT2A 3640/4885MAPT 4420/4885

“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.