SCHEMBL3148117

SCHEMBL3148117

OCc1cc(CO)n(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
NOTUM Q6P988 3/20 0.33
COMT P21964 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
PTGS2 P35354 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GRN P28799 1/20 0.30
SORT1 Q99523 1/20 0.30

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
SCHEMBL20745930 0.82 P2RX7 (0.36) P2RX7NOTUML3MBTL1CA1CA2
SCHEMBL5366279 0.78 KDM4E (0.34) P2RX7NOTUML3MBTL1CA1CA2
SCHEMBL3144333 0.73 POLB (0.35) L3MBTL1
SCHEMBL11524645 0.71 ALDH1A1 (0.43) L3MBTL1
SCHEMBL5357402 0.70 P2RX7 (0.40) P2RX7NOTUML3MBTL1CA2PTGS2
SCHEMBL7470953 0.68 P2RX7 (0.53) P2RX7NOTUML3MBTL1CYP11B1CYP11B2
SCHEMBL3148070 0.66 ALDH1A1 (0.41) CYP11B1CYP11B2
SCHEMBL2891146 0.66 POLB (0.32) CYP11B1CYP11B2
SCHEMBL927921 0.66 PDE5A (0.33) CYP11B1CYP11B2
SCHEMBL17361370 0.66 PTGS2 (0.49) P2RX7NOTUMCOMTL3MBTL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099452-B1 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING MALLINCKRODT LLC (US) 2015-07-22 EP disclosed
EP-2099452-B1 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING MALLINCKRODT LLC (US) 2015-07-22 EP disclosed
US-9023315-B2 Tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2015-05-05 US disclosed
US-8940273-B2 Tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2015-01-27 US disclosed
US-20130131327-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging MALLINCKRODT LLC (US) 2013-05-23 US disclosed
US-20130129620-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging MALLINCKRODT LLC (US) 2013-05-23 US disclosed
US-8372379-B2 Technetium-99m (I) tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2013-02-12 US disclosed
US-8372379-B2 Technetium-99m (I) tricarbonyl complexes with tridentate chelators for myocardium imaging MALLINCKRODT LLC (US) 2013-02-12 US disclosed
US-20100074842-A1 Technetium-99m (I) Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging LIEBEL-FLARSHEIM COMPANY LLC 2010-03-25 US disclosed
US-20100074842-A1 Technetium-99m (I) Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging LIEBEL-FLARSHEIM COMPANY LLC 2010-03-25 US disclosed
EP-2099452-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING Mallinckrodt Inc. (US) 2009-09-16 EP disclosed
WO-2008061792-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING MALLINCKRODT INC. (US) 2008-05-29 WO disclosed
US-4157331-A SEDATIVES, TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1979-06-05 US disclosed
US-4153799-A ANXIOLYTICS, SEDATIVES, ANTICONVULSANTS, MUSCLE RELAXANTS, PYRAZOLE INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1979-05-08 US disclosed
US-4130716-A ANXIOLYTICS, SEDATIVE, MUSCLE RELAXANT, ANTICONVULSANT HOFFMANN-LA ROCHE INC. (US) 1978-12-19 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 (3 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-20130131327-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 P2RX7 4483/4885NOTUM 2638/4885COMT 3874/4885
US-20100074842-A1 Technetium-99m (I) Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 P2RX7 4673/4885NOTUM 1415/4885COMT 3356/4885
US-20130129620-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 P2RX7 4483/4885NOTUM 2638/4885COMT 3874/4885

“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.