SCHEMBL16243647

SCHEMBL16243647

O=C(O)CN(CCN(Cc1ncc[nH]1)Cc1ncc[nH]1)Cc1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.49
TAAR1 Q96RJ0 6/20 0.45
TDP1 Q9NUW8 2/20 0.43
EYA2 O00167 1/20 0.43
APP P05067 1/20 0.43
ACE P12821 1/20 0.43
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 2/20 0.42
BLM P54132 2/20 0.42
PMP22 Q01453 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16244067 0.86 SMN1; SMN2 (0.56) TBXAS1TAAR1TDP1TSHRCYP2D6
SCHEMBL15948859 0.85 TAAR1 (0.52) TBXAS1TAAR1TDP1TSHRCYP2D6
SCHEMBL16243999 0.84 TAAR1 (0.45) TBXAS1TAAR1TSHRCYP2D6LMNA
SCHEMBL370577 0.79 TAAR1 (0.53) TBXAS1TAAR1TSHRCYP2D6LMNA
Edetic Acid SCHEMBL28336631 0.79 TBXAS1 (0.42) TBXAS1TAAR1TDP1EYA2APP
SCHEMBL1637202 0.77 CXCR4 (0.62) TBXAS1TAAR1TSHRCYP2D6LMNA
SCHEMBL1331599 0.77 TAAR1 (0.54) TAAR1TSHRCYP2D6LMNABLM
SCHEMBL8820632 0.76 TAAR1 (0.47) TBXAS1TAAR1TSHRCYP2D6LMNA
SCHEMBL13377412 0.76 TAAR1 (0.45) TBXAS1TAAR1TSHRCYP2D6LMNA
SCHEMBL16243873 0.75 TAAR1 (0.44) TBXAS1TAAR1TSHRCYP2D6LMNA

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-20140350256-A1 IRON AND MANGANESE COMPLEXES COMPRISING HEXADENTATE MONOCARBOXYLATO-CONTAINING LIGANDS AND THEIR USE FOR THE CATALYSIS OF OXIDATION REACTIONS UNIVERSITY OF SOUTHERN DENMARK (DK) 2014-11-27 US claimed
US-20140350256-A1 IRON AND MANGANESE COMPLEXES COMPRISING HEXADENTATE MONOCARBOXYLATO-CONTAINING LIGANDS AND THEIR USE FOR THE CATALYSIS OF OXIDATION REACTIONS UNIVERSITY OF SOUTHERN DENMARK (DK) 2014-11-27 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 (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-20140350256-A1 IRON AND MANGANESE COMPLEXES COMPRISING HEXADENTATE MONOCARBOXYLATO-CONTAINING LIGANDS AND THEIR USE FOR THE CATALYSIS OF OXIDATION REACTIONS ME3, SOD3, SOD1 TBXAS1 3775/4885TAAR1 1951/4885TDP1 4330/4885

“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.