SCHEMBL2628833

SCHEMBL2628833

O=[N+]([O-])c1ccc(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1NCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.67
NPSR1 Q6W5P4 4/20 0.67
CYP1A2 P05177 3/20 0.67
CYP2C9 P11712 3/20 0.67
CYP2C19 P33261 3/20 0.67
CYP3A4 P08684 2/20 0.67
SERPINE1 P05121 4/20 0.67
SIRT6 Q8N6T7 1/20 0.67
HTR6 P50406 5/20 0.64
ALDH1A1 P00352 4/20 0.62
HTT P42858 3/20 0.62
LMNA P02545 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL2481061 0.83 MAPT (0.86) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1847175 0.80 SIRT6 (1.00) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL20640023 0.79 MAPT (0.79) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2762465 0.79 MAPT (0.79) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2462482 0.79 MAPT (0.79) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2389106 0.79 MAPT (0.71) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL27943723 0.79 MAPT (0.77) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL1844704 0.78 HTR6 (1.00) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL2389029 0.78 MAPT (0.80) MAPTNPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL13528776 0.78 MAPT (0.65) MAPTNPSR1CYP1A2CYP2C9CYP2C19

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
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 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 (2 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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 MAPT 2258/4885NPSR1 257/4885CYP1A2 4717/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 MAPT 3379/4885NPSR1 188/4885CYP1A2 4739/4885

“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.