SCHEMBL280160

SCHEMBL280160

[C-]#[N+]c1cc(C(=O)CN2CC(O)C(O)C2)sc1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
GSK3B P49841 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
DAO P14920 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN2B Q13224 1/20 0.30

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
SCHEMBL328025 0.76 ALDH1A1 (0.36) ALDH1A1GSK3BGRIN2B
SCHEMBL279992 0.72 DAO (0.44) ALDH1A1MEN1DAOKMT2A
SCHEMBL280176 0.61 HCAR2 (0.47) MEN1KMT2A
SCHEMBL12858787 0.58
SCHEMBL31479102 0.54 HTT (0.33)
SCHEMBL279616 0.52 RAB9A (0.49) ALDH1A1KDM4EMEN1MAPTDAO
SCHEMBL279607 0.51 HPGD (0.55) ALDH1A1KDM4EDAOKMT2A
SCHEMBL6795205 0.51 GSK3B (1.00) ALDH1A1GSK3BKDM4EMEN1MAPT
SCHEMBL15483706 0.50 MAPT (0.55) ALDH1A1GSK3BKDM4EMEN1MAPT
SCHEMBL6399748 0.50 ALDH1A1 (0.56) ALDH1A1KDM4EMEN1MAPTKMT2A

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-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 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-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL ALDH1A1 2047/4885GSK3B 2918/4885KDM4E 4435/4885

“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.