SCHEMBL5457558

SCHEMBL5457558

CC(C)C1=NN(c2ccc(F)c(Cl)c2)C(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CASP6 P55212 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
BRD9 Q9H8M2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KAT2B Q92831 2/20 0.40
PIN1 Q13526 1/20 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
SCHEMBL5455119 0.87 KDM4E (0.48) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL5455129 0.85 KMT2A (0.54) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL4331102 0.82 KMT2A (0.68) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL5459978 0.81 MAPT (0.45) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL4350206 0.77 KMT2A (0.42) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL5781892 0.75 MAPT (0.43) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL5464226 0.75 MAPT (0.43) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL5468382 0.73 MAPT (0.51) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL5976227 0.73 GAA (0.62) KMT2AGAAMEN1MAPTKDM4E
SCHEMBL10381309 0.72 MAOB (0.60) KMT2AGAAMEN1MAPTKDM4E

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 2948/4885GAA 2285/4885MEN1 2892/4885

“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.