SCHEMBL446347

SCHEMBL446347

O=C1NC(=O)C(c2ccc(CN(c3ccccc3-c3ccccc3)S(=O)(=O)c3ccccc3)cc2)S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
TEAD1 P28347 1/20 0.38
ESR1 P03372 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
PTGES O14684 2/20 0.36
ALOX5 P09917 2/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NR1I2 O75469 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 0.77 LMNA (0.57) CA2MEN1KMT2ALMNAPTGES
SCHEMBL446371 0.76 ALOX5 (0.53) MEN1KMT2ALMNAPTGESALOX5
SCHEMBL443636 0.75 CA2 (0.54) CA2MEN1KMT2ALMNAALDH1A1
SCHEMBL444121 0.75 MCL1 (0.49) CA2MEN1KMT2ALMNAESR1
SCHEMBL445377 0.71 PTGES (0.51) MEN1KMT2ALMNAPTGESALOX5
SCHEMBL446076 0.70 CA2 (0.47) CA2ESR1ALDH1A1CNR2
SCHEMBL448085 0.69 ALDH1A1 (0.52) CA2MEN1KMT2ALMNAPTGES
SCHEMBL6570475 0.67 CA2 (1.00) CA2MEN1KMT2AESR1ALDH1A1
SCHEMBL446213 0.67 ALDH1A1 (0.46) CA2MEN1KMT2ALMNAALDH1A1
SCHEMBL447265 0.67 ALDH1A1 (0.43) CA2MEN1KMT2ALMNAALDH1A1

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 CA2 2650/4885HCRTR1 2327/4885HCRTR2 3088/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA2 2650/4885HCRTR1 2327/4885HCRTR2 3088/4885

“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.