SCHEMBL2628836

SCHEMBL2628836

Clc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 10/20 0.77
SLC2A3 P11169 10/20 0.77
SLC2A2 P11168 7/20 0.77
MAPT P10636 7/20 0.73
NPC1 O15118 4/20 0.73
RAB9A P51151 3/20 0.73
MAPK1 P28482 2/20 0.73
NPSR1 Q6W5P4 1/20 0.73
ALDH1A1 P00352 6/20 0.71
HPGD P15428 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
LMNA P02545 3/20 0.69
KDM4E B2RXH2 1/20 0.67
HTT P42858 1/20 0.67
POLB P06746 1/20 0.64
HSD17B10 Q99714 1/20 0.64

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
SCHEMBL21568696 0.83 MAPT (1.00) SLC2A1SLC2A3SLC2A2MAPTNPC1
SCHEMBL29618261 0.83 MAPT (1.00) SLC2A1SLC2A3SLC2A2MAPTNPC1
SCHEMBL7658416 0.82 MAPT (0.80) SLC2A1SLC2A3SLC2A2MAPTNPC1
SCHEMBL2628843 0.81 MAPT (0.80) SLC2A1SLC2A3SLC2A2MAPTNPC1
SCHEMBL6706131 0.80 MAPT (0.71) SLC2A1SLC2A3SLC2A2MAPTNPC1
SCHEMBL13390339 0.77 MAPT (0.67) SLC2A1SLC2A3SLC2A2MAPTNPC1
SCHEMBL2522332 0.76 MAPT (0.78) SLC2A1SLC2A3SLC2A2MAPTNPC1
SCHEMBL13576575 0.75 ALDH1A1 (0.69) SLC2A1SLC2A3SLC2A2MAPTNPC1
SCHEMBL23500626 0.74 TP53 (0.53) SLC2A1SLC2A3SLC2A2MAPTNPC1
SCHEMBL2077026 0.74 ALDH1A1 (0.67) MAPTNPC1RAB9AMAPK1NPSR1

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 8 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-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-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-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
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 SLC2A1 3960/4885SLC2A3 3899/4885SLC2A2 4161/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 SLC2A1 3492/4885SLC2A3 3473/4885SLC2A2 3800/4885

“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.