SCHEMBL7558024

SCHEMBL7558024

COc1ccc(C(=O)C2CCC(C(=O)NCCNC(=O)OCc3ccccc3)CC2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
PKM P14618 1/20 0.52
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.42
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 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
SCHEMBL7561011 0.82 KMT2A (0.46) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL7560685 0.79 CDC25B (0.52) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL12812906 0.77 LMNA (0.56) KMT2AMEN1L3MBTL1LMNASMN1; SMN2
SCHEMBL12812726 0.76 KMT2A (0.64) NPC1RAB9APKMKMT2AMEN1
SCHEMBL7560911 0.76 MTNR1A (0.48) NPC1RAB9APKMMTNR1AMTNR1B
SCHEMBL7564684 0.75 PLK1 (0.55) RAB9APKMKMT2AMEN1L3MBTL1
SCHEMBL1938499 0.74 SMN1; SMN2 (0.55) KMT2AMEN1L3MBTL1LMNASMN1; SMN2
SCHEMBL27996446 0.72 HTT (0.58) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL10243339 0.70 LMNA (0.71) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL13055383 0.70 LMNA (0.80) NPC1RAB9AKMT2AMEN1L3MBTL1

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 NPC1 942/4885RAB9A 2331/4885PKM 54/4885

“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.