SCHEMBL12439344

SCHEMBL12439344

NC(=O)CN1CCN(CC(N)=O)CCN(c2ccc([N+](=O)[O-])cc2)CCN(CC(N)=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HTR1A P08908 1/20 0.57
SIRT6 Q8N6T7 1/20 0.56
AKR1C3 P42330 1/20 0.55

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
SCHEMBL4400218 1.00 POLB (0.67) POLBKMT2ATDP1MAPTLMNA
SCHEMBL16824855 0.87 POLB (0.73) POLBKMT2ATDP1MAPTLMNA
SCHEMBL3393724 0.85 POLB (0.67) POLBKMT2ATDP1MAPTLMNA
SCHEMBL3187189 0.85 HTR1A (0.64) POLBKMT2AMAPTLMNASMN1; SMN2
SCHEMBL2658444 0.83 POLB (0.52) POLBKMT2AMAPTLMNASMN1; SMN2
SCHEMBL13833154 0.82 KDM4E (0.60) TDP1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL1812473 0.82 POLB (0.63) POLBKMT2ATDP1MAPTLMNA
SCHEMBL22471249 0.82 POLB (0.63) POLBKMT2ATDP1MAPTLMNA
SCHEMBL3440117 0.82 KMT2A (0.77) POLBKMT2ATDP1MAPTSMN1; SMN2
SCHEMBL942109 0.81 POLB (0.62) POLBKMT2ATDP1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318134-B2 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2012-11-27 US disclosed
EP-1469890-B1 RESPONSIVE PARAMAGNETIC MRI CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2011-08-10 EP disclosed
EP-2298362-A1 Responsive paramagnetic MRI contrast agents Bracco Imaging S.p.A (IT) 2011-03-23 EP disclosed
US-20090234221-A1 RESPONSIVE PARAMAGNETIC MRI CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2009-09-17 US disclosed
US-7524483-B2 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2009-04-28 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-20090234221-A1 RESPONSIVE PARAMAGNETIC MRI CONTRAST AGENTS MYT1, PRTN3, CECR2 POLB 4103/4885KMT2A 2512/4885TDP1 800/4885

“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.