SCHEMBL3847201

SCHEMBL3847201

CC(C)(C)c1ccc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
CTPS1 P17812 1/20 0.52
LMNA P02545 7/20 0.51
ALDH1A1 P00352 3/20 0.50
GAA P10253 3/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
ATM Q13315 1/20 0.49
CHEK1 O14757 1/20 0.48
MAPT P10636 5/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
Dimethylamine SCHEMBL8186390 0.95 PARP1 (0.55) PARP1CTPS1LMNAALDH1A1GAA
SCHEMBL12326836 0.85 MAPT (0.51) LMNAALDH1A1PKML3MBTL1POLB
SCHEMBL3855174 0.85 CASP6 (0.64) LMNAPOLBTSHRMEN1KMT2A
SCHEMBL1727109 0.84 PARP1 (0.59) PARP1CTPS1LMNAALDH1A1GAA
SCHEMBL16960436 0.83 CHEK1 (0.47) LMNAALDH1A1GAAL3MBTL1SMN1; SMN2
SCHEMBL8149078 0.81 CHEK1 (0.55) LMNAALDH1A1GAASMN1; SMN2POLB
SCHEMBL8129502 0.81 VCAM1 (0.63) LMNAALDH1A1PKMCHEK1MEN1
SCHEMBL8129652 0.81 ALDH1A1 (0.53) LMNAALDH1A1CHEK1MAPTHTT
SCHEMBL1254186 0.79 PARP1 (0.71) PARP1CTPS1LMNAALDH1A1GAA
SCHEMBL16950587 0.78 CHEK1 (0.44) LMNAALDH1A1L3MBTL1SMN1; SMN2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2021-09-30 US disclosed
US-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2021-09-30 US disclosed
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
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
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
EP-0763524-B1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO CO (JP) 2000-08-23 EP disclosed
US-6040339-A TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA OR ARTERIOSCLEROSIS IN A MAMMAL SANKYO COMPANY, LIMITED (JP) 2000-03-21 US disclosed
US-5880147-A Amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prohylactic use SANKYO COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 EP 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 (7 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 PARP1 856/4885CTPS1 57/4885LMNA 3348/4885
US-20080112884-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 PARP1 856/4885CTPS1 57/4885LMNA 3348/4885
US-20050191238-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 PARP1 856/4885CTPS1 57/4885LMNA 3348/4885
US-20190127333-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 PARP1 856/4885CTPS1 57/4885LMNA 3348/4885
US-10125106-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 PARP1 856/4885CTPS1 57/4885LMNA 3348/4885
US-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 PARP1 856/4885CTPS1 57/4885LMNA 3348/4885
US-10889550-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 PARP1 856/4885CTPS1 57/4885LMNA 3348/4885

“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.