SCHEMBL342123

SCHEMBL342123

COc1ccccc1-c1cccn2cc([C@@H]3CCCN3C(=O)OCc3ccccc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AADAT Q8N5Z0 2/20 0.43
PREP P48147 3/20 0.42
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
DAGLA Q9Y4D2 1/20 0.41
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
ACE2 Q9BYF1 1/20 0.40
CTRB1 P17538 1/20 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
SCHEMBL341368 0.90 AADAT (0.44) NPSR1MEN1KMT2ATSHRL3MBTL1
SCHEMBL341365 0.88 AADAT (0.44) ALDH1A1TSHRL3MBTL1AADATPREP
SCHEMBL342735 0.88 AADAT (0.42) TSHRL3MBTL1AADATPREPTMEM97
SCHEMBL342833 0.87 AADAT (0.42) TSHRL3MBTL1AADATPREPTMEM97
SCHEMBL342099 0.85 AADAT (0.41) TSHRL3MBTL1AADATPREPTMEM97
SCHEMBL14144749 0.85 HCRTR1 (0.45)
SCHEMBL341914 0.85 AADAT (0.45) NPSR1TSHRL3MBTL1AADATPREP
SCHEMBL343423 0.80 AADAT (0.45) NPSR1TSHRL3MBTL1AADATPREP
SCHEMBL341458 0.79 GFER (0.47) ALDH1A1NPSR1TP53MEN1KMT2A
SCHEMBL341933 0.79 AADAT (0.44) NPSR1MEN1KMT2ATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH INC. (US) 2010-05-27 US disclosed
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH INC. (US) 2010-05-27 US disclosed
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH INC. (US) 2010-05-27 US disclosed
EP-2125809-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP Genentech, Inc. (US) 2009-12-02 EP disclosed
WO-2008079735-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-07-03 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 (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-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 ALDH1A1 4176/4885NPSR1 3317/4885TP53 52/4885
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 ALDH1A1 4176/4885NPSR1 3317/4885TP53 52/4885

“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.