SCHEMBL420587

SCHEMBL420587

COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)OC(C)C)cc3)N=C2C)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.62
MEN1 O00255 10/20 0.62
AMY1A P0DUB6 5/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
POLB P06746 3/20 0.57
PTGS2 P35354 2/20 0.54
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
GAA P10253 2/20 0.52
PKM P14618 2/20 0.52
KDM4E B2RXH2 2/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
PSMD14 O00487 1/20 0.49
KAT8 Q9H7Z6 1/20 0.49

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
SCHEMBL11045187 0.87 KMT2A (0.81) KMT2AMEN1AMY1AL3MBTL1POLB
SCHEMBL6654187 0.81 PTGS2 (0.68) KMT2AMEN1AMY1AL3MBTL1POLB
SCHEMBL6654185 0.81 PTGS2 (0.68) KMT2AMEN1AMY1AL3MBTL1POLB
SCHEMBL420585 0.79 KMT2A (0.72) KMT2AMEN1AMY1AL3MBTL1POLB
SCHEMBL12900139 0.75 DYRK1A (0.46) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL446375 0.75 DYRK1A (0.46) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL446376 0.75 DYRK1A (0.46) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL3887396 0.74 KMT2A (0.60) KMT2AMEN1AMY1AL3MBTL1POLB
SCHEMBL3887393 0.74 KMT2A (0.60) KMT2AMEN1AMY1AL3MBTL1POLB
SCHEMBL419547 0.73 KMT2A (0.60) KMT2AMEN1AMY1AL3MBTL1POLB

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-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US 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-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KMT2A 1703/4885MEN1 4818/4885AMY1A 1713/4885

“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.