SCHEMBL446375

SCHEMBL446375

COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)OC(C)C)cc3)NC2C)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.46
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.43
MAPT P10636 5/20 0.43
IDE P14735 2/20 0.43
MCL1 Q07820 1/20 0.43
GAA P10253 4/20 0.43
KDM1A O60341 1/20 0.43
PSMD14 O00487 1/20 0.43
MMP2 P08253 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
EP300 Q09472 1/20 0.42
OPRK1 P41145 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
PTPN1 P18031 1/20 0.41
ACP1 P24666 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL12900139 1.00 DYRK1A (0.46) DYRK1AKMT2AMEN1MAPTIDE
SCHEMBL446376 1.00 DYRK1A (0.46) DYRK1AKMT2AMEN1MAPTIDE
SCHEMBL420587 0.75 KMT2A (0.62) KMT2AMEN1MAPTGAAPSMD14
SCHEMBL18844761 0.71 DYRK1A (0.67) DYRK1AKMT2AMEN1MAPTGAA
SCHEMBL446083 0.70 KMT2A (0.51) DYRK1AKMT2AMEN1MAPTGAA
SCHEMBL460898 0.70 KMT2A (0.51) DYRK1AKMT2AMEN1MAPTGAA
SCHEMBL8889003 0.70 CA12 (0.70) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL5674688 0.70 CA12 (0.70) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL4257063 0.64 PTPN1 (0.75) DYRK1AKMT2AMEN1MAPTGAA
SCHEMBL4257060 0.64 PTPN1 (0.75) DYRK1AKMT2AMEN1MAPTGAA

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 6 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

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-20110028470-A1 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 DYRK1A 4706/4885KMT2A 1703/4885MEN1 4818/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 DYRK1A 4706/4885KMT2A 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.