SCHEMBL444121

SCHEMBL444121

O=C1NC(=O)C(c2ccc(CN(c3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)cc2)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
PTGES O14684 3/20 0.47
ALOX5 P09917 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
HTR6 P50406 1/20 0.46
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
CNR2 P34972 4/20 0.43
MAPK14 Q16539 1/20 0.41
MAPT P10636 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
SCHEMBL448085 0.91 ALDH1A1 (0.52) MCL1PTGESALOX5ALDH1A1POLB
SCHEMBL444661 0.82 HTR2C (0.43) MCL1ALDH1A1POLBHTR1AHTR2A
SCHEMBL443636 0.81 CA2 (0.54) ALDH1A1POLBL3MBTL1CA2KMT2A
SCHEMBL444342 0.80 LMNA (0.57) PTGESALOX5ALDH1A1CA2KMT2A
SCHEMBL446371 0.79 ALOX5 (0.53) MCL1PTGESALOX5ALDH1A1KMT2A
SCHEMBL445377 0.78 PTGES (0.51) MCL1PTGESALOX5ALDH1A1KMT2A
SCHEMBL446076 0.76 CA2 (0.47) ALDH1A1L3MBTL1CA2ESR1CNR2
SCHEMBL446347 0.75 CA2 (0.46) PTGESALOX5ALDH1A1CA2ESR1
SCHEMBL31366855 0.73 CA2 (0.66) CA2ESR1KMT2AMEN1MAPT
SCHEMBL446066 0.73 PTGES (0.42) PTGESALOX5ALDH1A1POLBKMT2A

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 MCL1 4072/4885PTGES 514/4885ALOX5 359/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 MCL1 4072/4885PTGES 514/4885ALOX5 359/4885

“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.