SCHEMBL7564337

SCHEMBL7564337

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
DRD1 P21728 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
CYP2C19 P33261 1/20 0.58
ADRA1A P35348 1/20 0.58
DRD3 P35462 1/20 0.58
BLM P54132 1/20 0.58
PMP22 Q01453 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
EYA2 O00167 1/20 0.54
APP P05067 1/20 0.54
ACE P12821 1/20 0.54

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
SCHEMBL2284795 0.98 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL2799777 0.96 TDP1 (0.52) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL2807141 0.94 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL12243695 0.94 TDP1 (0.56) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL212272 0.90 AKR1B1 (0.52) TDP1LMNATSHREYA2APP
SCHEMBL186172 0.88 MEP1B (0.50) TDP1LMNAHDAC3HDAC1HDAC2
SCHEMBL3132717 0.87 HTT (0.53) KDM4ELMNAALOX15TSHRCYP2C19
SCHEMBL27541878 0.87 OPRK1 (0.56) TDP1CYP2C19ADRA1ASLC6A3HDAC3
SCHEMBL3256423 0.87 HDAC3 (0.45) TDP1KDM4ELMNACHRM2ADRA2A
SCHEMBL12222172 0.86 CALM1 (0.52) TDP1KDM4ELMNACHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049190-A1 Pharmaceutical compositions comprising metal complexes ANORMED INC. (CA) 2002-04-25 US disclosed
EP-1163247-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056743-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2000-09-28 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 (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-20020049190-A1 Pharmaceutical compositions comprising metal complexes CFD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12 TDP1 3584/4885KDM4E 2866/4885LMNA 645/4885

“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.