SCHEMBL445112

SCHEMBL445112

O=C1NC(=O)C(c2ccc(CN(C(=O)C#Cc3ccccc3)c3cccc(C(=O)O)c3)cc2)S1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
PPARG P37231 6/20 0.37
PPARA Q07869 4/20 0.37
PPARD Q03181 3/20 0.37
LTB4R2 Q9NPC1 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.33
STAT3 P40763 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MPC2 O95563 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTPN1 P18031 1/20 0.32
PTGES O14684 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX5 P09917 1/20 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
SCHEMBL445234 0.82 PTGES (0.48) CA2LTB4R2KMT2ASTAT3L3MBTL1
SCHEMBL446132 0.81 LTB4R2 (0.45) CA2PPARGPPARAPPARDLTB4R2
SCHEMBL444612 0.79 CA2 (0.46) CA2PPARGPPARAPPARDLTB4R2
SCHEMBL446660 0.79 NR1H4 (0.45) STAT3
SCHEMBL446471 0.79 LTB4R2 (0.58) LTB4R2CYP2C8CYP2C9
SCHEMBL446224 0.78 GAA (0.53) CA2LTB4R2ALDH1A1KMT2ASTAT3
SCHEMBL444303 0.77 CFTR (0.49) CA2PPARGPPARAPPARDLTB4R2
SCHEMBL444342 0.77 LMNA (0.57) CA2ALDH1A1LMNAKMT2AMEN1
SCHEMBL447265 0.76 ALDH1A1 (0.43) CA2ALDH1A1LMNAKMT2AMEN1
SCHEMBL446213 0.76 ALDH1A1 (0.46) CA2PPARGPPARAPPARDALDH1A1

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 2650/4885PPARG 857/4885PPARA 1766/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 CA2 2650/4885PPARG 857/4885PPARA 1766/4885

“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.