SCHEMBL444214

SCHEMBL444214

O=C1/C(=C/c2ccc(O)cc2)C(C(F)(F)F)=NN1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERO1A Q96HE7 2/20 0.51
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RECQL P46063 1/20 0.49
GALK1 P51570 1/20 0.49
BLM P54132 1/20 0.49
KAT8 Q9H7Z6 1/20 0.45
HPGD P15428 2/20 0.44
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EP300 Q09472 1/20 0.43
SIRT1 Q96EB6 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
SCHEMBL444215 1.00 ERO1A (0.51) ERO1AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL420959 1.00 ERO1A (0.51) ERO1AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL13665954 0.81 MEN1 (0.50) ERO1AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL420808 0.80 KMT2A (0.76) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL446478 0.80 KMT2A (0.76) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL447823 0.79 ERO1A (0.49) ERO1AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL420803 0.79 ERO1A (0.49) ERO1AKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL11045857 0.79 MEN1 (0.55) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL11045855 0.79 MEN1 (0.55) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL11046387 0.77 KMT2A (0.53) KMT2AMEN1L3MBTL1ALDH1A1MAPT

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 ERO1A 2315/4885KMT2A 2334/4885MEN1 1277/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ERO1A 2220/4885KMT2A 1703/4885MEN1 4818/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ERO1A 2220/4885KMT2A 1703/4885MEN1 4818/4885

“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.