SCHEMBL333965

SCHEMBL333965

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc([N+](=O)[O-])cn3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.45
MAPT P10636 7/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 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
SCHEMBL335032 0.88 TP53 (0.41) TP53MAPTSMN1; SMN2HTTTHRB
SCHEMBL334156 0.86 TP53 (0.41) TP53MAPTSMN1; SMN2HTTTHRB
SCHEMBL333746 0.86 SCN9A (0.45) TP53MAPTMAPK1SMN1; SMN2LMNA
SCHEMBL333797 0.82 SMN1; SMN2 (0.42) TP53MAPTSMN1; SMN2THRBPOLB
SCHEMBL333479 0.81 TP53 (0.52) TP53MAPTMAPK1SMN1; SMN2HTT
SCHEMBL335054 0.80 MAPT (0.45) TP53MAPTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL333880 0.80 SMN1; SMN2 (0.41) TP53MAPTSMN1; SMN2HTTTHRB
SCHEMBL333467 0.80 SMN1; SMN2 (0.44) TP53MAPTSMN1; SMN2LMNATHRB
SCHEMBL334935 0.80 SCN9A (0.45) MAPK1MEN1KMT2A
SCHEMBL334190 0.80 SCN9A (0.45) TP53MAPTMAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 US 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG TP53 738/4885MAPT 49/4885MAPK1 354/4885

“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.