SCHEMBL7560685

SCHEMBL7560685

COc1ccc(C(=O)c2ccc(C(=O)NCCNC(=O)OCc3ccccc3)c3ccccc23)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.52
PLK1 P53350 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 3/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 4/20 0.44
HPGDS O60760 1/20 0.44
KCNA5 P22460 1/20 0.44
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL7885129 0.81 NPC1 (0.46) L3MBTL1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7561437 0.80 PLK1 (0.59) CDC25BPLK1KMT2AMEN1LMNA
SCHEMBL7558024 0.79 NPC1 (0.52) L3MBTL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL10243339 0.75 LMNA (0.71) L3MBTL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL13055383 0.74 LMNA (0.80) L3MBTL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL1820284 0.73 HTT (0.61) L3MBTL1SMN1; SMN2LMNAHPGDHTT
SCHEMBL5063193 0.72 LMNA (0.77) L3MBTL1SMN1; SMN2LMNAHPGDHTT
SCHEMBL7560388 0.72 CDC25B (0.88) CDC25BPLK1KMT2ALMNAHPGD
SCHEMBL2384157 0.71 LMNA (0.69) L3MBTL1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL5891933 0.71 PLK1 (0.73) CDC25BPLK1KMT2ALMNAHPGD

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-20020052354-A1 Paramagnetic DOTA derivatives, pharmaceutical agents that contain the latter, process for their production, and their use for MR imaging of necrosis and infarction SCHERING AG 2002-05-02 US disclosed
WO-2001051095-A2 PARAMAGNETIC DOTA DERIVATIVES, PHARMACEUTICAL AGENTS CONTAINING THE SAME, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE FOR THE MR IMAGING OF NECROSIS AND INFARCTION SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-19 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-20020052354-A1 Paramagnetic DOTA derivatives, pharmaceutical agents that contain the latter, process for their production, and their use for MR imaging of necrosis and infarction TNNI3, NPR1, LPXN CDC25B 4031/4885PLK1 2981/4885L3MBTL1 2246/4885

“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.