SCHEMBL443664

SCHEMBL443664

Cc1nc(C(=O)N(Cc2ccc(C3SC(=O)NC3=O)cc2)c2cccc(C(=O)O)c2)c(C)o1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 2/20 0.34
LTB4R2 Q9NPC1 2/20 0.33
STAT3 P40763 3/20 0.33
NR1H4 Q96RI1 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARA Q07869 3/20 0.32
PTGES O14684 2/20 0.32
ALOX5 P09917 2/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32

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
SCHEMBL443207 0.83 HDAC1 (0.41) RAB9ANPC1KMT2ALTB4R2PTGES
SCHEMBL443857 0.81 KDM4E (0.41) KMT2ALTB4R2PPARAPPARG
SCHEMBL445234 0.81 PTGES (0.48) CA2RAB9ANPC1KMT2ALTB4R2
SCHEMBL446224 0.80 GAA (0.53) CA2RAB9ANPC1KMT2ALTB4R2
SCHEMBL444303 0.79 CFTR (0.49) CA2RAB9ANPC1LTB4R2STAT3
SCHEMBL446828 0.77 LTB4R2 (0.43) CA2RAB9ANPC1KMT2ALTB4R2
SCHEMBL446471 0.77 LTB4R2 (0.58) LTB4R2
SCHEMBL446132 0.76 LTB4R2 (0.45) CA2RAB9ANPC1KMT2ALTB4R2
SCHEMBL446660 0.76 NR1H4 (0.45) STAT3NR1H4
SCHEMBL447265 0.75 ALDH1A1 (0.43) CA2KMT2A

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 CA2 2650/4885RAB9A 3986/4885NPC1 3856/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA2 2650/4885RAB9A 3986/4885NPC1 3856/4885

“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.