SCHEMBL3456740

SCHEMBL3456740

CC[S+]([O-])c1oc2ccccc2c(=O)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
PGAM1 P18669 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOB P27338 1/20 0.41
CYP2C9 P11712 4/20 0.38
BRAF P15056 3/20 0.37
MEN1 O00255 1/20 0.37
ABCB11 O95342 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL2483045 0.72 MAOA (0.53) MAOAKDM4EHPGDALDH1A1CYP3A4
SCHEMBL3456654 0.70 MAOA (0.50) MAOAKDM4EHPGDALDH1A1CYP3A4
SCHEMBL19846946 0.69 KMT2A (0.64) MAOAKDM4EHPGDALDH1A1CYP3A4
SCHEMBL18222929 0.67 CYP2C9 (0.47) MAOAKDM4EHPGDALDH1A1CYP3A4
SCHEMBL27978165 0.67 MAOA (0.42) MAOAKDM4EHPGDALDH1A1CYP3A4
SCHEMBL18407415 0.66 KDM4E (0.53) MAOAKDM4EHPGDALDH1A1CYP3A4
SCHEMBL14533465 0.66 CYP2C9 (0.55) MAOAKDM4EHPGDALDH1A1CYP3A4
SCHEMBL31217589 0.66 KDM4E (0.53) MAOAKDM4EHPGDALDH1A1CYP3A4
SCHEMBL311868 0.66 CYP3A4 (0.68) MAOAKDM4EHPGDALDH1A1CYP3A4
Xanthone SCHEMBL11245548 0.66 MAOA (0.86) MAOAKDM4EHPGDALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253333-B1 Contrast Agents for Myocardial Perfusion Imaging LANTHEUS MEDICAL IMAGING INC (US) 2019-06-12 EP disclosed
EP-2253333-B1 Contrast Agents for Myocardial Perfusion Imaging LANTHEUS MEDICAL IMAGING INC (US) 2019-06-12 EP disclosed
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 US disclosed
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 US disclosed
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 US disclosed
EP-2253333-A2 Contrast Agents for Myocardial Perfusion Imaging Lantheus Medical Imaging, Inc. (US) 2010-11-24 EP disclosed
EP-2253333-A2 Contrast Agents for Myocardial Perfusion Imaging Lantheus Medical Imaging, Inc. (US) 2010-11-24 EP disclosed
EP-1740225-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
EP-1740225-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005105159-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-10 WO disclosed
US-20050244332-A1 Contrast agents for myocardial perfusion imaging CITIZENS BANK, N.A. 2005-11-03 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-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 MAOA 1888/4885KDM4E 4486/4885HPGD 2447/4885
US-20050244332-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 MAOA 1888/4885KDM4E 4486/4885HPGD 2447/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 MAOA 1888/4885KDM4E 4486/4885HPGD 2447/4885

“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.