SCHEMBL460898

SCHEMBL460898

COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)NC2O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48
GAA P10253 4/20 0.47
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.44
PTPN1 P18031 1/20 0.44
ACP1 P24666 1/20 0.44
DYRK1A Q13627 3/20 0.44
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
FAAH O00519 1/20 0.43
NPC1 O15118 1/20 0.43
THRB P10828 1/20 0.43
RAB9A P51151 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL446083 1.00 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL18844761 0.81 DYRK1A (0.67) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL420585 0.74 KMT2A (0.72) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL12900139 0.70 DYRK1A (0.46) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL446376 0.70 DYRK1A (0.46) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL446375 0.70 DYRK1A (0.46) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL12511940 0.70 KMT2A (0.67) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL15936932 0.68 DYRK1A (0.81) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL420579 0.67 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL446664 0.67 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335517-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA RENASCIENCE CO LTD (JP) 2014-11-13 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-7645882-B2 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-01-12 US disclosed
US-20070123577-A1 Inhibitor of protein modification products formation TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2007-05-31 US disclosed
EP-1693369-A1 PROTEIN MODIFIER PRODUCTION INHIBITOR TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2006-08-23 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 (2 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-20070123577-A1 Inhibitor of protein modification products formation SERPINB6, PROC, PLPBP KMT2A 2334/4885MEN1 1277/4885MAPT 3796/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KMT2A 1703/4885MEN1 4818/4885MAPT 4131/4885

“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.