SCHEMBL445330

SCHEMBL445330

CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1ccc(O)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 4/20 0.59
POLB P06746 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.59
RECQL P46063 1/20 0.59
GALK1 P51570 1/20 0.59
BLM P54132 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTGS2 P35354 1/20 0.58
AMY1A P0DUB6 7/20 0.56
KAT8 Q9H7Z6 1/20 0.55

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
SCHEMBL419547 1.00 KMT2A (0.60) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL3678658 0.91 KMT2A (0.72) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL3678657 0.91 KMT2A (0.72) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL5476893 0.87 KMT2A (0.58) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL5476898 0.87 KMT2A (0.58) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL445329 0.80 PRMT5 (0.45) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL445331 0.80 PRMT5 (0.45) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL29010258 0.79 KMT2A (0.82) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL28473982 0.79 KMT2A (0.82) KMT2AMEN1GAAL3MBTL1POLB
SCHEMBL28967925 0.79 KAT8 (0.78) KMT2AMEN1GAAL3MBTL1POLB

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 9 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-8809329-B2 Detection and treatment of schizophrenia TOKYO METROPOLITAN INSTITUTE OF MEDICAL SCIENCE (JP) 2014-08-19 US disclosed
EP-2662453-A2 Detection and treatment of schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2013-11-13 EP disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20110028470-A1 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2011-02-03 US disclosed
EP-2189537-A1 DETECTION AND TREATMENT OF SCHIZOPHRENIA TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2010-05-26 EP 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 (3 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 1277/4885GAA 3516/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KMT2A 1703/4885MEN1 4818/4885GAA 833/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KMT2A 1703/4885MEN1 4818/4885GAA 833/4885

“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.