SCHEMBL5459456

SCHEMBL5459456

CCOC(=O)CCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.54
ALDH1A1 P00352 9/20 0.54
MAPT P10636 8/20 0.54
MEN1 O00255 7/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 6/20 0.49
HPGD P15428 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
THRB P10828 3/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
PIM1 P11309 1/20 0.46
DYRK2 Q92630 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL5459460 1.00 KMT2A (0.54) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL14255683 0.76 KMT2A (0.52) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL14255632 0.74 KMT2A (0.47) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL12297690 0.74 KMT2A (0.48) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL418900 0.71 MAPT (0.55) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL448179 0.71 MAPT (0.55) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL5462729 0.69 GAA (0.63) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL3186208 0.68 CYP3A4 (0.58) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL4749100 0.67 KMT2A (0.55) KMT2AALDH1A1MAPTMEN1MAPK1
SCHEMBL14255660 0.67 KMT2A (0.47) KMT2AALDH1A1MAPTMEN1KDM4E

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 KMT2A 2948/4885ALDH1A1 1861/4885MAPT 4163/4885

“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.