SCHEMBL3156953

SCHEMBL3156953

COC(=O)c1cc(C(=O)OC)n(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
PDE5A O76074 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
PKM P14618 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41

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
SCHEMBL5361435 0.82 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL3152340 0.78 ALDH1A1 (0.42) KDM4EALDH1A1HSD17B10NPC1RAB9A
SCHEMBL14895637 0.76 MAPK1 (0.47) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL69400 0.76 SMN1; SMN2 (0.60) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL7473643 0.73 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1829222 0.73 SIRT2 (0.47) KDM4EALDH1A1SMN1; SMN2MAPTKCNN4
SCHEMBL20488594 0.72 SMN1; SMN2 (0.54) SMN1; SMN2CYP1A2POLBRAB9AMAPT
SCHEMBL687803 0.72 NOTUM (0.44) KDM4EALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL24798624 0.71 BRD4 (0.64) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL23185750 0.71 BRD4 (0.64) KDM4EALDH1A1HSD17B10HPGDMAPT

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 9 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
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-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 3518/4885SMN1; SMN2 4063/4885
US-20100074842-A1 Technetium-99m (I) Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 KDM4E 1564/4885ALDH1A1 3726/4885SMN1; SMN2 4228/4885
US-20130129620-A1 Tricarbonyl Complexes with Tridentate Chelators for Myocardium Imaging TNNT2, TNNI3, FABP3 KDM4E 1256/4885ALDH1A1 3518/4885SMN1; SMN2 4063/4885

“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.