SCHEMBL6676353

SCHEMBL6676353

O=[N+]([O-])c1ccc2c(c1)Sc1ccc(C(F)(F)F)cc1N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 1.00
SNCA P37840 7/20 0.64
CYBB P04839 1/20 0.59
NOX3 Q9HBY0 1/20 0.59
NOX4 Q9NPH5 1/20 0.59
KIF11 P52732 2/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
JUN P05412 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PHOSPHO1 Q8TCT1 1/20 0.38

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
SCHEMBL30867073 0.86 SNCA (0.79) NOX1SNCAMAPTNPC1RAB9A
SCHEMBL29214094 0.86 SNCA (0.79) NOX1SNCAMAPTNPC1RAB9A
SCHEMBL1208092 0.83 SNCA (0.84) NOX1SNCAMAPTNPC1RAB9A
SCHEMBL29625234 0.83 SNCA (0.84) NOX1SNCAMAPTNPC1RAB9A
SCHEMBL3031049 0.80 SNCA (0.68) NOX1SNCAMAPTALDH1A1HSD17B10
SCHEMBL30769632 0.79 SNCA (1.00) NOX1SNCAMAPTALOX15NPC1
SCHEMBL239724 0.79 SNCA (1.00) NOX1SNCAMAPTALOX15NPC1
SCHEMBL20842835 0.78 NOX1 (0.68) NOX1SNCACYBBNOX3NOX4
SCHEMBL11375009 0.77 NOX1 (0.69) NOX1SNCACYBBNOX3NOX4
SCHEMBL14571431 0.76 SNCA (0.72) NOX1SNCAMAPTNPC1RAB9A

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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same CELLCEUTIX CORPORATION (US) 2014-10-16 US disclosed
US-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same CELLCEUTIX CORPORATION (US) 2014-10-16 US disclosed
WO-2014093225-A2 POLYCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CELLCEUTIX CORPORATION (US) 2014-06-19 WO disclosed
WO-2014093225-A2 POLYCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CELLCEUTIX CORPORATION (US) 2014-06-19 WO disclosed
WO-2004037192-A2 IDENTIFICATION OF ANTIMYCOBACTERIAL TARGETS AND THE INHIBITION THEREOF AS A TREATMENT FOR INFECTIOUS DISEASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-05-06 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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same ALG1, CD44, MUC1 NOX1 2473/4885SNCA 4861/4885CYBB 2711/4885

“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.