SCHEMBL10068420

SCHEMBL10068420

CC(C)(C)OC(=O)NC(CC1(N)CN(Cc2ccccc2)CCN(Cc2ccccc2)C1)CC1(N)CN(Cc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SYK P43405 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
ACE P12821 2/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSS P25774 2/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL10068417 0.83 ATM (0.44) ATMNPFFR1NPFFR2SYKSIGMAR1
SCHEMBL13244198 0.79 ATM (0.59) ATMNPFFR1NPFFR2CYP2D6CYP3A4
SCHEMBL272157 0.76 ATM (0.64) ATMCYP3A4SYKSIGMAR1ACE
SCHEMBL30220891 0.75 NPFFR1 (0.46) ATMNPFFR1NPFFR2ACEKMT2A
SCHEMBL13738215 0.73 NPFFR1 (0.57) NPFFR1NPFFR2CYP2D6CYP3A4SIGMAR1
SCHEMBL555251 0.73 KMT2A (0.62) NPFFR1NPFFR2SIGMAR1KMT2AL3MBTL1
SCHEMBL1031172 0.73 NPFFR1 (0.53) NPFFR1NPFFR2CYP2D6CYP3A4SIGMAR1
SCHEMBL1361202 0.72 KMT2A (0.62) ATMCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL15809950 0.72 KMT2A (0.62) ATMCYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL1504753 0.72 POLB (0.47) ATMNPFFR1NPFFR2CYP2D6CYP3A4

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-8105567-B2 Multidentate AZA ligands able to complex metal ions and the use thereof in diagnostics and therapy BRACCO IMAGING SPA (IT) 2012-01-31 US disclosed
US-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy BRACCO IMAGING S.P.A (IT) 2010-03-18 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-20100069628-A1 Multidentate AZA Ligands Able to Complex Metal Ions And The Use Thereof In Diagnostics And Therapy CD99, MB, HBZ ATM 2372/4885NPFFR1 2800/4885NPFFR2 2943/4885

“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.