SCHEMBL12401865

SCHEMBL12401865

[C-]#[N+]CCc1ccc(COCOCc2ccc(CCC#N)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL12401877 0.81 PDE4A (0.37) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL12401870 0.80 MEN1 (0.41) MEN1KMT2A
SCHEMBL12401882 0.77 GAA (0.39) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL8764230 0.71 MEN1 (0.64) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL7861390 0.68 TSHR (0.50)
SCHEMBL12401881 0.67 ATM (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL450038 0.66 ESR1 (0.59) MEN1KMT2A
SCHEMBL7859899 0.66 ESR1 (0.59) KMT2A
SCHEMBL1542065 0.65 MEN1 (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL8763175 0.65 MEN1 (0.56) MEN1KMT2APDE4APDE4BPDE4C

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-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M MEN1 77/4885KMT2A 2941/4885PDE4A 1223/4885

“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.