SCHEMBL446213

SCHEMBL446213

O=C1NC(=O)C(c2ccc(CN(c3cccc(C(=O)O)c3)S(=O)(=O)Cc3ccccc3)cc2)S1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CA2 P00918 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
GRM2 Q14416 2/20 0.40
PTPN1 P18031 4/20 0.39
PTPN6 P29350 2/20 0.39
PTPN11 Q06124 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MEP1B Q16820 2/20 0.35
PTPN2 P17706 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL444342 0.88 LMNA (0.57) ALDH1A1LMNACA2KMT2AMEN1
SCHEMBL447265 0.87 ALDH1A1 (0.43) ALDH1A1LMNACA2KMT2AMEN1
SCHEMBL443448 0.86 GRM2 (0.40) ALDH1A1LMNACA2KMT2AMEN1
SCHEMBL446371 0.84 ALOX5 (0.53) ALDH1A1LMNAKMT2AMEN1PTPN1
SCHEMBL448085 0.83 ALDH1A1 (0.52) ALDH1A1LMNACA2KMT2AMEN1
SCHEMBL445377 0.83 PTGES (0.51) ALDH1A1LMNAKMT2AMEN1
SCHEMBL444612 0.81 CA2 (0.46) ALDH1A1LMNACA2KMT2APTPN1
SCHEMBL446132 0.79 LTB4R2 (0.45) ALDH1A1LMNACA2KMT2ASMN1; SMN2
SCHEMBL446829 0.78 GRM2 (0.38) CA2GRM2PPARGPPARDPPARA
SCHEMBL445234 0.78 PTGES (0.48) CA2KMT2AMEN1L3MBTL1MEP1B

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 ALDH1A1 240/4885LMNA 4046/4885CA2 2650/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALDH1A1 240/4885LMNA 4046/4885CA2 2650/4885

“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.