SCHEMBL3439040

SCHEMBL3439040

O=C(O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
KCNH2 Q12809 1/20 0.44
HTT P42858 1/20 0.44
TAOK1 Q7L7X3 2/20 0.44
TAOK3 Q9H2K8 1/20 0.44
XIAP P98170 2/20 0.44
BIRC3 Q13489 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
AADAT Q8N5Z0 1/20 0.44
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL10066056 0.91 XIAP (0.48) ALDH1A1LMNAMAPTKCNH2XIAP
SCHEMBL10081804 0.89 XIAP (0.57) XIAPBIRC3
SCHEMBL3439205 0.88 XIAP (0.45) ALDH1A1LMNAMAPTKCNH2HTT
SCHEMBL10066059 0.88 XIAP (0.46) ALDH1A1LMNAMAPTTAOK1TAOK3
SCHEMBL10066053 0.87 KCNH2 (0.46) ALDH1A1LMNAMAPTKCNH2XIAP
SCHEMBL13119037 0.87 XIAP (0.45) ALDH1A1LMNAMAPTHTTXIAP
SCHEMBL10081370 0.87 XIAP (0.47) XIAPBIRC3
SCHEMBL895174 0.86 XIAP (0.44) ALDH1A1LMNAMAPTXIAPBIRC3
SCHEMBL3439008 0.85 XIAP (0.52) ALDH1A1LMNAMAPTXIAPBIRC3
SCHEMBL896276 0.84 BIRC2 (0.42) ALDH1A1LMNAMAPTKCNH2XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130281385-A1 SMALL MOLECULE APOPTOSIS PROMOTERS JOYANT PHARMACEUTICALS, INC. 2013-10-24 US disclosed
US-8222291-B2 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-7807699-B2 Dimeric pyrrolidine amide-containing small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
EP-1996184-A2 SMALL MOLECULE APOPTOSIS PROMOTERS Joyant Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
US-20080051389-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2008-02-28 US disclosed
WO-2007136921-A2 SMALL MOLECULE APOPTOSIS PROMOTERS JOYANT PHARMACEUTICALS, INC. (US) 2007-11-29 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-20130281385-A1 SMALL MOLECULE APOPTOSIS PROMOTERS BID, BAD, BAX ALDH1A1 4619/4885LMNA 685/4885MAPT 3392/4885
US-20080051389-A1 Small molecule apoptosis promoters BID, BAD, BAX ALDH1A1 4619/4885LMNA 685/4885MAPT 3392/4885

“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.