SCHEMBL446132

SCHEMBL446132

O=C1NC(=O)C(c2ccc(CN(C(=O)CCc3ccccc3)c3cccc(C(=O)O)c3)cc2)S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.45
CA2 P00918 1/20 0.43
MLYCD O95822 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
PAX8 Q06710 2/20 0.38
JAK2 O60674 1/20 0.38
PPARG P37231 4/20 0.37
LPAR1 Q92633 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
STAT3 P40763 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL446471 0.88 LTB4R2 (0.58) LTB4R2PTGDR2
SCHEMBL445234 0.84 PTGES (0.48) LTB4R2CA2NPC1RAB9AKMT2A
SCHEMBL445112 0.81 CA2 (0.41) LTB4R2CA2ALDH1A1NPC1PPARG
SCHEMBL444612 0.81 CA2 (0.46) LTB4R2CA2ALDH1A1PPARGLMNA
SCHEMBL446660 0.80 NR1H4 (0.45) STAT3
SCHEMBL446224 0.80 GAA (0.53) LTB4R2CA2ALDH1A1NPC1HTT
SCHEMBL446213 0.79 ALDH1A1 (0.46) CA2ALDH1A1PPARGLMNAKMT2A
SCHEMBL446828 0.79 LTB4R2 (0.43) LTB4R2CA2NPC1RAB9AKMT2A
SCHEMBL444303 0.79 CFTR (0.49) LTB4R2CA2NPC1RAB9APPARG
SCHEMBL5093968 0.78 LTB4R2 (0.46) LTB4R2PTGDR2

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 LTB4R2 1275/4885CA2 2650/4885MLYCD 474/4885
US-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 LTB4R2 1275/4885CA2 2650/4885MLYCD 474/4885

“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.