SCHEMBL2628847

SCHEMBL2628847

O=C1c2ccccc2-c2onc3c(N4CCN(C5CCCCC5)CC4)cc(Nc4ccc5c(c4)OCO5)c1c23

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.74
MAPT P10636 7/20 0.70
TP53 P04637 2/20 0.67
POLB P06746 1/20 0.62
THRB P10828 1/20 0.62
PLAU P00749 1/20 0.58
EHMT2 Q96KQ7 6/20 0.56
PLAUR Q03405 4/20 0.53
ADORA1 P30542 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
SCHEMBL2628848 0.95 NTRK1 (0.74) NTRK1MAPTTP53POLBTHRB
SCHEMBL16978027 0.87 NTRK1 (0.81) NTRK1MAPTTP53POLBTHRB
SCHEMBL19262255 0.86 NTRK1 (0.67) NTRK1MAPTTP53POLBTHRB
SCHEMBL13284987 0.85 NTRK1 (1.00) NTRK1MAPTTP53POLBTHRB
SCHEMBL13284981 0.84 NTRK1 (0.81) NTRK1MAPTTP53POLBTHRB
SCHEMBL16978029 0.84 NTRK1 (0.78) NTRK1MAPTTP53POLBTHRB
SCHEMBL16037129 0.84 NTRK1 (0.86) NTRK1MAPTTP53POLBTHRB
SCHEMBL2480771 0.83 NTRK1 (0.84) NTRK1MAPTTP53POLBTHRB
SCHEMBL15940264 0.83 MAPT (0.81) NTRK1MAPTTP53POLBTHRB
SCHEMBL13284992 0.83 NTRK1 (0.76) NTRK1MAPTTP53POLBTHRB

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 NTRK1 176/4885MAPT 2258/4885TP53 101/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 NTRK1 154/4885MAPT 3379/4885TP53 51/4885

“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.