SCHEMBL3848503

SCHEMBL3848503

CC(C)(C)n1ncc(Cl)c(CBr)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
MAPK1 P28482 4/20 0.41
SMN1; SMN2 Q16637 10/20 0.40
HTT P42858 5/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 2/20 0.40
NPC1 O15118 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
GPR183 P32249 1/20 0.40
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 6/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 3/20 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
SCHEMBL9726468 0.85 TSHR (0.41) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL3846274 0.83 SMN1; SMN2 (0.41) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL9726425 0.82 TSHR (0.40) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL23188713 0.81 TSHR (0.40) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL8542130 0.81 MAPK1 (0.39) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL10367640 0.80 TSHR (0.39) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL10374162 0.80 NPC1 (0.40) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL10366709 0.78 TSHR (0.38) TSHRMAPK1SMN1; SMN2HTTCYP2C19
SCHEMBL8544138 0.77 BPTF (0.45) SMN1; SMN2HTTRAB9AALDH1A1HPGD
SCHEMBL1627210 0.77 SMN1; SMN2 (0.50) TSHRMAPK1SMN1; SMN2HTTCYP2C19

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 39 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
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-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-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-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
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-0717734-B1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 1998-11-18 EP disclosed
US-5763439-A POTENTIATION ISHIHARA SANGYO KAISHA LTD. (JP) 1998-06-09 US disclosed
EP-0717734-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-06-26 EP disclosed
WO-1995007264-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1995-03-16 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 (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 TSHR 2215/4885MAPK1 2316/4885SMN1; SMN2 2969/4885
US-20050191238-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 TSHR 2215/4885MAPK1 2316/4885SMN1; SMN2 2969/4885
US-20190127333-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 TSHR 2215/4885MAPK1 2316/4885SMN1; SMN2 2969/4885
US-10125106-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 TSHR 2215/4885MAPK1 2316/4885SMN1; SMN2 2969/4885
US-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 TSHR 2215/4885MAPK1 2316/4885SMN1; SMN2 2969/4885
US-10889550-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 TSHR 2215/4885MAPK1 2316/4885SMN1; SMN2 2969/4885

“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.