SCHEMBL335054

SCHEMBL335054

COC(=O)c1c(C(=O)OC)n(-c2ccc(OC(C)C)cc2)c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 4/20 0.45
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 3/20 0.41
HSPB1 P04792 1/20 0.39
GAA P10253 3/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL335055 0.95 MAPT (0.43) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL333969 0.86 MAPT (0.40) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL333599 0.84 LMNA (0.50) MAPTHTTLMNAPPARG
SCHEMBL333970 0.81 MEN1 (0.39) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL368313 0.81 MAPT (0.39) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL333965 0.80 TP53 (0.45) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL333600 0.79 LMNA (0.48) MAPTHTTLMNAPPARG
SCHEMBL1407296 0.78 MAPT (0.40) MAPTSMN1; SMN2HTTMAPK1HPGD
SCHEMBL334112 0.77 MAPT (0.61) MAPTSMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL335008 0.76 PTGES (0.49) MAPTSMN1; SMN2HTTMAPK1HPGD

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-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
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG MAPT 49/4885SMN1; SMN2 3963/4885HTT 1793/4885

“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.