SCHEMBL4933766

SCHEMBL4933766

COc1ccc(Nc2cc(Cl)c(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.67
MAPK1 P28482 4/20 0.67
TDP1 Q9NUW8 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
ALDH1A1 P00352 2/20 0.67
ALDH3A1 P30838 1/20 0.60
GAA P10253 2/20 0.58
HTT P42858 1/20 0.58
AKR1C3 P42330 3/20 0.57
AKR1C2 P52895 3/20 0.57
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MERTK Q12866 1/20 0.54
IDO1 P14902 1/20 0.54
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
HPGD P15428 2/20 0.49
RAF1 P04049 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49

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
SCHEMBL2902330 0.93 MAPT (0.65) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4931104 0.85 MAPT (0.58) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4744863 0.84 MAPT (0.64) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4932340 0.84 MAPT (0.73) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4930929 0.84 MAPT (0.68) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4931602 0.83 MAPT (0.53) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4929928 0.83 MERTK (0.52) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4933189 0.82 MERTK (0.51) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4575162 0.82 AKR1C3 (0.70) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL2328384 0.82 MAPT (0.58) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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 (1 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 MAPT 4574/4885MAPK1 884/4885TDP1 4558/4885

“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.