SCHEMBL3920134

SCHEMBL3920134

O=C(CN1CCN(CC(=O)NNC(=O)OCc2ccccc2)CCN(CC(=O)NNC(=O)OCc2ccccc2)CCN(CC(=O)NNC(=O)OCc2ccccc2)CC1)NNC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CA7 P43166 1/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ATM Q13315 1/20 0.47
USP2 O75604 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL2295789 0.82 CA12 (0.66) CA1CA2CA9ALDH1A1LMNA
SCHEMBL31408148 0.81 LIPE (0.47) CA1CA2CA9CA7ALDH1A1
SCHEMBL24251635 0.79 ALDH1A1 (0.59) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13687326 0.79 HTT (0.53) CA1CA2CA9CA7ALDH1A1
SCHEMBL15776693 0.78 ALDH1A1 (0.55) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3971804 0.78 RAB9A (0.54) CA1CA2CA9CA7ALDH1A1
SCHEMBL5548988 0.78 ALDH1A1 (0.55) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL25419509 0.78 ALDH1A1 (0.55) ALDH1A1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL26357994 0.78 CA12 (0.58) CA1CA2CA9ALDH1A1LMNA
SCHEMBL12832074 0.78 CA12 (0.54) CA1CA2CA9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298362-B1 Responsive paramagnetic MRI contrast agents BRACCO IMAGING SPA (IT) 2013-03-13 EP disclosed
US-8318134-B2 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2012-11-27 US disclosed
US-8318134-B2 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2012-11-27 US disclosed
US-8318134-B2 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2012-11-27 US disclosed
US-20090234221-A1 RESPONSIVE PARAMAGNETIC MRI CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2009-09-17 US disclosed
US-20090234221-A1 RESPONSIVE PARAMAGNETIC MRI CONTRAST AGENTS BRACCO IMAGING S.P.A. (IT) 2009-09-17 US 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
US-7524483-B2 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2009-04-28 US disclosed
US-7524483-B2 Responsive paramagnetic MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2009-04-28 US disclosed
US-20050191243-A1 Responsive paramagnetic mri contrast agents BRACCO IMAGING S.P.A. (IT) 2005-09-01 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 (2 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 CA1 814/4885CA2 982/4885CA9 889/4885
US-20050191243-A1 Responsive paramagnetic mri contrast agents MYT1, PRTN3, CECR2 CA1 814/4885CA2 982/4885CA9 889/4885

“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.