SCHEMBL3847699

SCHEMBL3847699

COc1cc(OC)c([N+](=O)[O-])cc1C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
MAPT P10636 3/20 0.67
KDM4E B2RXH2 2/20 0.67
PRKDC P78527 2/20 0.67
CYP3A4 P08684 1/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 3/20 0.60
TSHR P16473 1/20 0.60
ERN1 O75460 1/20 0.51
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.45
HPGD P15428 2/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44

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
SCHEMBL19331554 0.93 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL20783154 0.88 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL29125349 0.86 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL28704679 0.86 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL8710876 0.86 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL2723326 0.86 ALDH1A1 (0.83) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL19833822 0.85 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL16117977 0.85 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL29955973 0.85 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL8946170 0.85 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPRKDCCYP3A4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3385253-B1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING INC (US) 2021-04-07 EP disclosed
US-10889550-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2021-01-12 US disclosed
US-10889550-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2021-01-12 US disclosed
US-20190127333-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2019-05-02 US disclosed
US-20190127333-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2019-05-02 US disclosed
US-10125106-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2018-11-13 US disclosed
EP-3385253-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Lantheus Medical Imaging, Inc. (US) 2018-10-10 EP disclosed
US-20180009763-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2018-01-11 US disclosed
EP-1713512-B1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING INC (US) 2018-01-10 EP disclosed
US-9718786-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2017-08-01 US disclosed
US-20080112884-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2008-05-15 US disclosed
US-20080112884-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2008-05-15 US disclosed
US-20080112884-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY 2008-05-15 US disclosed
US-7344702-B2 Contrast agents for myocardial perfusion imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-18 US disclosed
US-7344702-B2 Contrast agents for myocardial perfusion imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-18 US disclosed
US-7344702-B2 Contrast agents for myocardial perfusion imaging BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-18 US disclosed
CN-1925878-A Contrast agents for myocardial perfusion imaging BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-03-07 CN disclosed
EP-1713512-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Pharma Company (US) 2006-10-25 EP disclosed
WO-2005079391-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-01 WO disclosed
US-20050191238-A1 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. 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 (6 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-20180009763-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 ALDH1A1 2228/4885MAPT 4043/4885KDM4E 4486/4885
US-20080112884-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 ALDH1A1 2228/4885MAPT 4043/4885KDM4E 4486/4885
US-20050191238-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 ALDH1A1 2228/4885MAPT 4043/4885KDM4E 4486/4885
US-20190127333-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 ALDH1A1 2228/4885MAPT 4043/4885KDM4E 4486/4885
US-10125106-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 ALDH1A1 2228/4885MAPT 4043/4885KDM4E 4486/4885
US-10889550-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 ALDH1A1 2228/4885MAPT 4043/4885KDM4E 4486/4885

“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.