SCHEMBL4698938

SCHEMBL4698938

CCOC(=O)c1c([N+](=O)[O-])c2cc(Br)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.39
ELANE P08246 4/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
CLK1 P49759 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 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
SCHEMBL3007173 0.86 MAPT (0.46) MAPTATMTP53SMN1; SMN2THRB
SCHEMBL335076 0.85 SMN1; SMN2 (0.50) MAPTATMTP53SMN1; SMN2THRB
SCHEMBL3016031 0.84 MAPT (0.45) MAPTATMTP53SMN1; SMN2THRB
SCHEMBL3571150 0.84 MAPT (0.45) MAPTATMTP53SMN1; SMN2THRB
SCHEMBL333931 0.84 MAPT (0.45) MAPTATMTP53SMN1; SMN2THRB
SCHEMBL4700108 0.84 PTGES (0.51) MAPTTP53SMN1; SMN2THRBALDH1A1
SCHEMBL3009481 0.83 KMT2A (0.50) MAPTATMTP53SMN1; SMN2THRB
SCHEMBL3012983 0.83 MAPT (0.42) MAPTATMTP53SMN1; SMN2THRB
SCHEMBL333693 0.83 MAPT (0.43) MAPTATMTP53SMN1; SMN2THRB
SCHEMBL3012396 0.83 MAPT (0.43) MAPTATMTP53SMN1; SMN2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-08-07 US disclosed
EP-1778633-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123674-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO 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-20080188473-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 MAPT 3535/4885ATM 3994/4885TP53 2477/4885

“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.