SCHEMBL444011

SCHEMBL444011

COc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERO1A Q96HE7 1/20 0.83
▸ AMY1A P0DUB6 7/20 0.60
▸ ALDH1A1 P00352 3/20 0.54
▸ GAA P10253 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ THRB P10828 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ PKM P14618 1/20 0.52
▸ NTSR1 P30989 1/20 0.51
▸ BLM P54132 1/20 0.49
▸ DYRK1A Q13627 3/20 0.49
▸ LCK P06239 1/20 0.48
▸ PAX8 Q06710 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL444010 1.00 ERO1A (0.83) ERO1AAMY1AALDH1A1GAAMAPT
SCHEMBL419548 1.00 ERO1A (0.83) ERO1AAMY1AALDH1A1GAAMAPT
SCHEMBL5476639 0.80 ERO1A (0.58) ERO1AAMY1AALDH1A1GAAMAPT
SCHEMBL17122108 0.75 KMT2A (0.57) ERO1AAMY1AALDH1A1GAAMAPT
SCHEMBL11045187 0.73 KMT2A (0.81) AMY1AALDH1A1GAAMAPTKMT2A
SCHEMBL6654187 0.73 PTGS2 (0.68) AMY1AALDH1A1GAAMAPTKMT2A
SCHEMBL6654185 0.73 PTGS2 (0.68) AMY1AALDH1A1GAAMAPTKMT2A
SCHEMBL5468614 0.71 MEN1 (0.51) ERO1AAMY1AALDH1A1GAAMAPT
SCHEMBL5468618 0.71 MEN1 (0.51) ERO1AAMY1AALDH1A1GAAMAPT
SCHEMBL444214 0.70 ERO1A (0.51) ERO1AALDH1A1GAAMAPTKMT2A

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 2315/4885AMY1A 1685/4885ALDH1A1 3582/4885
US-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ERO1A 2220/4885AMY1A 1713/4885ALDH1A1 240/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ERO1A 2220/4885AMY1A 1713/4885ALDH1A1 240/4885

“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.

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