SCHEMBL3855174

SCHEMBL3855174

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

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
TSHR P16473 2/20 0.63
LMNA P02545 1/20 0.58
HCAR3 P49019 12/20 0.58
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL20690493 0.87 CASP6 (0.64) CASP6TSHRLMNAHCAR3MEN1
SCHEMBL12326836 0.87 MAPT (0.51) CASP6TSHRLMNAHCAR3POLB
SCHEMBL3847201 0.85 PARP1 (0.59) TSHRLMNAPOLBMEN1KMT2A
SCHEMBL16960436 0.85 CHEK1 (0.47) CASP6TSHRLMNAHCAR3MEN1
SCHEMBL29886656 0.83 CASP6 (0.64) CASP6TSHRLMNAHCAR3POLB
SCHEMBL1265098 0.83 CASP6 (0.64) CASP6TSHRLMNAHCAR3POLB
SCHEMBL6867539 0.83 CASP6 (0.55) CASP6TSHRLMNAHCAR3POLB
SCHEMBL8129652 0.83 ALDH1A1 (0.53) CASP6TSHRLMNAHCAR3MEN1
SCHEMBL8129502 0.83 VCAM1 (0.63) LMNAMEN1KMT2A
SCHEMBL8149078 0.83 CHEK1 (0.55) CASP6TSHRLMNAHCAR3POLB

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 52 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
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-10130633-B2 Compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-20 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-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
EP-0632036-B1 Amide derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO CO (JP) 2000-03-01 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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
US-5614550-A ANTICHOLESTEROL AGENTS OR ARTERIOSCLEROSIS AGENTS FOR HUMANS SANKYO COMPANY, LIMITED (JP) 1997-03-25 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
US-5534529-A Substituted aromatic amides and ureas derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-07-09 US disclosed
EP-0632036-A2 Amide and urea derivatives having anti-hypercholesteremic activity, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1995-01-04 EP disclosed
EP-0135901-B1 HEAT-SENSITIVE REGISTRATION MATERIAL JUJO PAPER CO., LTD. (JP) 1988-11-30 EP disclosed
US-4591888-A IMPROVED STABILITY AGAINST CONTAMINATION WITH OILY SUBSTANCES JUJO PAPER CO., LTD. (JP) 1986-05-27 US disclosed
EP-0135901-A2 Heat-sensitive registration material JUJO PAPER CO., LTD. (JP) 1985-04-03 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 (5 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 CASP6 4638/4885TSHR 2215/4885LMNA 3348/4885
US-10125106-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 CASP6 4638/4885TSHR 2215/4885LMNA 3348/4885
US-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CASP6 4638/4885TSHR 2215/4885LMNA 3348/4885
US-10130633-B2 Compounds AADAC, NAT1, CBR3 CASP6 1116/4885TSHR 2036/4885LMNA 80/4885
US-10889550-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 CASP6 4638/4885TSHR 2215/4885LMNA 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.