SCHEMBL3137138

SCHEMBL3137138

CCOCc1c[nH]nc1C(c1n[nH]cc1COCC)c1n[nH]cc1COCC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL22276388 0.74 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22276460 0.73 KDM4E (0.31) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22276400 0.70 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22276441 0.70
SCHEMBL16861321 0.67
SCHEMBL3825796 0.65 MEN1 (0.31) KDM4E
SCHEMBL10280520 0.61
SCHEMBL3152360 0.60
SCHEMBL648250 0.60 IDO1 (0.39) KDM4EALDH1A1
SCHEMBL22861810 0.60 GABRA1 (0.33)

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 13 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 claimed
US-20100074842-A1 Technetium-99m (I) Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging LIEBEL-FLARSHEIM COMPANY LLC 2010-03-25 US claimed
EP-2099452-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING Mallinckrodt Inc. (US) 2009-09-16 EP claimed
WO-2008061792-A2 TRICARBONYL COMPLEXES WITH TRIDENTATE CHELATORS FOR MYOCARDIUM IMAGING MALLINCKRODT INC. (US) 2008-05-29 WO claimed
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-20130129620-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging MALLINCKRODT LLC (US) 2013-05-23 US disclosed
US-20130131327-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-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

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 KDM4E 1256/4885ALDH1A1 3518/4885HPGD 3359/4885
US-20100074842-A1 Technetium-99m (I) Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 KDM4E 1564/4885ALDH1A1 3726/4885HPGD 3965/4885
US-20130129620-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 KDM4E 1256/4885ALDH1A1 3518/4885HPGD 3359/4885

“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.