SCHEMBL447670

SCHEMBL447670

O=C1NC(=O)C(c2ccc(CN(CCC3CCCCC3)c3cccc(C(=O)O)c3)cc2)S1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.38
CA2 P00918 1/20 0.38
KMO O15229 1/20 0.38
LPAR1 Q92633 4/20 0.37
LPAR5 Q9H1C0 4/20 0.37
STAT3 P40763 2/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ACHE P22303 1/20 0.35
PTPN1 P18031 2/20 0.34
HTR5A P47898 1/20 0.34
PPM1D O15297 1/20 0.34

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
SCHEMBL443421 0.83 LTB4R2 (0.41) PPARGCA2PTPN1
SCHEMBL444612 0.82 CA2 (0.46) PPARGCA2KMOPTPN1
SCHEMBL446660 0.82 NR1H4 (0.45) STAT3
SCHEMBL447265 0.76 ALDH1A1 (0.43) CA2
SCHEMBL444342 0.74 LMNA (0.57) CA2
SCHEMBL445234 0.74 PTGES (0.48) CA2STAT3
SCHEMBL446213 0.73 ALDH1A1 (0.46) PPARGCA2PTPN1
SCHEMBL446132 0.73 LTB4R2 (0.45) PPARGCA2LPAR1STAT3
SCHEMBL446471 0.73 LTB4R2 (0.58)
SCHEMBL445112 0.72 CA2 (0.41) PPARGCA2STAT3PTPN1

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 PPARG 857/4885CA2 2650/4885KMO 81/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 PPARG 857/4885CA2 2650/4885KMO 81/4885

“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.