SCHEMBL341365

SCHEMBL341365

O=C(OCc1ccccc1)N1CCC[C@H]1c1cn2cccc(-c3ccccc3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.44
ALDH1A3 P47895 3/20 0.42
ALDH1A2 O94788 2/20 0.42
PREP P48147 3/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACE2 Q9BYF1 2/20 0.41
PARP1 P09874 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
SCHEMBL342735 0.90 AADAT (0.42) AADATPREPTMEM97SIGMAR1TSHR
SCHEMBL341368 0.90 AADAT (0.44) AADATPREPTMEM97SIGMAR1TSHR
SCHEMBL342833 0.89 AADAT (0.42) AADATPREPTMEM97SIGMAR1TSHR
SCHEMBL341914 0.89 AADAT (0.45) AADATPREPTMEM97SIGMAR1TSHR
SCHEMBL342123 0.88 ALDH1A1 (0.45) AADATPREPTMEM97SIGMAR1ALDH1A1
SCHEMBL342099 0.88 AADAT (0.41) AADATPREPTMEM97SIGMAR1TSHR
SCHEMBL341458 0.86 GFER (0.47) AADATPREPTMEM97SIGMAR1ALDH1A1
SCHEMBL342144 0.85 ALDH1A3 (0.50) ALDH1A3ALDH1A2ALDH1A1TSHR
SCHEMBL341933 0.84 AADAT (0.44) AADATPREPTMEM97SIGMAR1TSHR
SCHEMBL14144746 0.82 ALDH1A3 (0.47) ALDH1A3ALDH1A2ALDH1A1

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 7 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-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

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 AADAT 4260/4885ALDH1A3 4275/4885ALDH1A2 4334/4885
US-20100130539-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 AADAT 4260/4885ALDH1A3 4275/4885ALDH1A2 4334/4885

“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.