SCHEMBL446664

SCHEMBL446664

CCOc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.66
MEN1 O00255 9/20 0.66
PTGS2 P35354 1/20 0.66
L3MBTL1 Q9Y468 3/20 0.63
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
THRB P10828 3/20 0.58
HPGD P15428 3/20 0.58
CYP1A2 P05177 2/20 0.58
GAA P10253 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP3A4 P08684 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
KAT8 Q9H7Z6 2/20 0.56
MDM2 Q00987 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 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
SCHEMBL446663 1.00 KMT2A (0.66) KMT2AMEN1PTGS2L3MBTL1ALDH1A1
SCHEMBL420579 1.00 KMT2A (0.66) KMT2AMEN1PTGS2L3MBTL1ALDH1A1
SCHEMBL24212685 0.90 KMT2A (0.81) KMT2AMEN1PTGS2L3MBTL1ALDH1A1
SCHEMBL420585 0.90 KMT2A (0.72) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL22523764 0.84 KMT2A (0.80) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL11045187 0.79 KMT2A (0.81) KMT2AMEN1PTGS2L3MBTL1ALDH1A1
SCHEMBL245319 0.78 KMT2A (0.66) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL245318 0.78 KMT2A (0.66) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL445798 0.78 PTGS2 (0.64) KMT2AMEN1PTGS2L3MBTL1ALDH1A1
SCHEMBL445799 0.78 PTGS2 (0.64) KMT2AMEN1PTGS2L3MBTL1ALDH1A1

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 1277/4885PTGS2 2118/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KMT2A 1703/4885MEN1 4818/4885PTGS2 347/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 KMT2A 1703/4885MEN1 4818/4885PTGS2 347/4885

“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.