SCHEMBL443207

SCHEMBL443207

Cc1nc(-c2ccc(C(=O)N(Cc3ccc(C4SC(=O)NC4=O)cc3)c3cccc(C(=O)O)c3)cc2)no1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.41
HDAC6 Q9UBN7 15/20 0.41
HDAC8 Q9BY41 13/20 0.41
HDAC5 Q9UQL6 2/20 0.38
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL445234 0.86 PTGES (0.48) PTGESALOX5LTB4R2NPC1RAB9A
SCHEMBL443664 0.83 CA2 (0.35) PTGESALOX5LTB4R2NPC1RAB9A
SCHEMBL446828 0.82 LTB4R2 (0.43) PTGESALOX5LTB4R2NPC1RAB9A
SCHEMBL444303 0.80 CFTR (0.49) PTGESALOX5LTB4R2NPC1RAB9A
SCHEMBL446224 0.80 GAA (0.53) HDAC6LTB4R2NPC1RAB9AKMT2A
SCHEMBL443857 0.78 KDM4E (0.41) LTB4R2KMT2A
SCHEMBL446107 0.77 LTB4R2 (0.44) HDAC1HDAC6HDAC8HDAC5PTGES
SCHEMBL444612 0.76 CA2 (0.46) PTGESALOX5LTB4R2KMT2A
SCHEMBL446471 0.75 LTB4R2 (0.58) LTB4R2
SCHEMBL446132 0.74 LTB4R2 (0.45) LTB4R2NPC1RAB9AKMT2A

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 HDAC1 2495/4885HDAC6 3644/4885HDAC8 3454/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 HDAC1 2495/4885HDAC6 3644/4885HDAC8 3454/4885

“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.