SCHEMBL445378

SCHEMBL445378

O=C(c1cccc(N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C(=O)c2cnc3ccccc3c2)c1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
PIK3CA P42336 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ATR Q13535 1/20 0.38
CFTR P13569 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
AKR1C3 P42330 1/20 0.37
PARP1 P09874 1/20 0.37
PLK4 O00444 1/20 0.36
MAP4K4 O95819 1/20 0.36
ROS1 P08922 1/20 0.36
FGFR1 P11362 1/20 0.36

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
SCHEMBL444348 0.87 CFTR (0.46) CFTR
SCHEMBL443861 0.86 ABL1 (0.47) HDAC1HDAC8HDAC6IDO1TDO2
SCHEMBL447525 0.86 CFTR (0.43) CFTR
SCHEMBL446674 0.76 PTGES (0.48)
SCHEMBL446089 0.74 LTB4R2 (0.52) NPC1
SCHEMBL448210 0.73 GAA (0.53) KDM4EALDH1A1
SCHEMBL446107 0.72 LTB4R2 (0.44) HDAC1HDAC8HDAC6NPC1
SCHEMBL460057 0.72 LTB4R2 (0.49)
SCHEMBL447808 0.71 LTB4R2 (0.44)
SCHEMBL443638 0.71 LTB4R2 (0.53)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MKNK1 3347/4885MKNK2 2963/4885JAK2 4243/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 MKNK1 3347/4885MKNK2 2963/4885JAK2 4243/4885

“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.