SCHEMBL5462191

SCHEMBL5462191

COCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.54
MEN1 O00255 11/20 0.54
KMT2A Q03164 11/20 0.54
GAA P10253 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 3/20 0.51
BLM P54132 1/20 0.51
SHMT2 P34897 1/20 0.46
ALDH1A1 P00352 9/20 0.45
ABCG2 Q9UNQ0 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 3/20 0.42
HTT P42858 1/20 0.42
AMY1A P0DUB6 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL6946002 0.83 MAPT (0.55) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL17034742 0.80 SHMT2 (0.69) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL27367274 0.78 GAA (0.55) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL4664731 0.77 MAPT (0.70) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL4620529 0.77 GAA (0.55) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL5454653 0.76 MAPT (0.54) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL8015635 0.76 MAPT (0.54) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL4350226 0.76 KMT2A (0.45) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL8428059 0.74 GAA (0.53) MAPTMEN1KMT2AGAAL3MBTL1
SCHEMBL5462341 0.74 MAPT (0.58) MAPTMEN1KMT2AGAAL3MBTL1

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 MAPT 4163/4885MEN1 2892/4885KMT2A 2948/4885

“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.