SCHEMBL448085

SCHEMBL448085

O=C1NC(=O)C(c2ccc(CN(c3cccc(C(=O)O)c3)S(=O)(=O)c3ccc4ccccc4c3)cc2)S1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MCL1 Q07820 1/20 0.50
PTGES O14684 7/20 0.48
ALOX5 P09917 6/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
HTR6 P50406 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 1/20 0.39

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 0.91 LMNA (0.57) ALDH1A1LMNAPTGESALOX5MEN1
SCHEMBL444121 0.91 MCL1 (0.49) ALDH1A1LMNAMCL1PTGESALOX5
SCHEMBL446371 0.90 ALOX5 (0.53) ALDH1A1LMNAMCL1PTGESALOX5
SCHEMBL445377 0.88 PTGES (0.51) ALDH1A1LMNAMCL1PTGESALOX5
SCHEMBL444661 0.86 HTR2C (0.43) ALDH1A1LMNAMCL1KMT2AHTR1A
SCHEMBL447265 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL446213 0.83 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL446066 0.82 PTGES (0.42) ALDH1A1LMNAPTGESALOX5MEN1
SCHEMBL443448 0.79 GRM2 (0.40) ALDH1A1LMNAMEN1KMT2ACA2
SCHEMBL444612 0.77 CA2 (0.46) ALDH1A1LMNAPTGESALOX5KMT2A

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 4046/4885MCL1 4072/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 ALDH1A1 240/4885LMNA 4046/4885MCL1 4072/4885

“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.