SCHEMBL2122408

SCHEMBL2122408

O=C1CN[CH]N1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.51
GSK3B P49841 5/20 0.51
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
EPHX2 P34913 1/20 0.41
MGLL Q99685 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL1448471 0.70 GSK3A (0.51) GSK3AGSK3BDDB1CRBNL3MBTL1
SCHEMBL1488276 0.70 L3MBTL1 (0.56) GSK3AGSK3BDDB1CRBNL3MBTL1
SCHEMBL27477427 0.69 HPGD (0.49) GSK3AGSK3BDDB1CRBNL3MBTL1
SCHEMBL10559302 0.69 GSK3A (0.70) GSK3AGSK3BF2PLGELANE
SCHEMBL92331 0.69 L3MBTL1 (0.56) GSK3AGSK3BDDB1CRBNL3MBTL1
SCHEMBL9107355 0.68 GSK3A (0.49) GSK3AGSK3BDDB1CRBNL3MBTL1
SCHEMBL3313053 0.68 L3MBTL1 (0.50) GSK3AGSK3BDDB1CRBNL3MBTL1
SCHEMBL3318940 0.68 GSK3A (1.00) GSK3AGSK3BF2PLGELANE
Bromide SCHEMBL28426487 0.68 L3MBTL1 (0.54) GSK3AGSK3BDDB1CRBNL3MBTL1
Hydrochloric Acid SCHEMBL4768580 0.68 L3MBTL1 (0.54) GSK3AGSK3BDDB1CRBNL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 GSK3A 4556/4885GSK3B 4550/4885DDB1 2430/4885

“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.