SCHEMBL3139711

SCHEMBL3139711

O=c1nc(Cl)c2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 3/20 0.49
APP P05067 2/20 0.49
MEN1 O00255 2/20 0.49
CASP1 P29466 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ADORA3 P0DMS8 3/20 0.47
PARP1 P09874 3/20 0.45
GPR3 P46089 2/20 0.45
CYP1A2 P05177 2/20 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
SCHEMBL28389758 0.77 MEN1 (0.62) KDM4EALDH1A1HSD17B10HPGDKMT2A
SCHEMBL6076792 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL530191 0.76 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL29844822 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL554709 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL6099088 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
Benzoylenurea SCHEMBL29947820 0.76 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4413903 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL196018 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL30293081 0.76 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR

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 74 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-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 US disclosed
US-20040006078-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030232826-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACIUTICALS, INC. (US) 2003-12-18 US disclosed
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-11-20 US disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 WO disclosed
EP-1322613-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-07-02 EP disclosed
WO-2003020734-A2 LABELED NUCLEOSIDE POLYPHOSPHATES AMERSHAM BIOSCIENCES CORP (US) 2003-03-13 WO disclosed
US-6525052-B2 Treating autoimmune diseases, Alzheimer's disease, atherosclerosis, osteoporosis, and asthma BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-26 US disclosed
WO-2002020485-A1 SPIROHETEROCYCLIC NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-03-14 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 (10 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 KDM4E 4486/4885ALDH1A1 2228/4885HSD17B10 4159/4885
US-20030232826-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB KDM4E 3097/4885ALDH1A1 3667/4885HSD17B10 2108/4885
US-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 KDM4E 2413/4885ALDH1A1 1113/4885HSD17B10 132/4885
US-20040006078-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB KDM4E 3097/4885ALDH1A1 3667/4885HSD17B10 2108/4885
US-20030216383-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB KDM4E 3097/4885ALDH1A1 3667/4885HSD17B10 2108/4885
US-20190127333-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 KDM4E 4486/4885ALDH1A1 2228/4885HSD17B10 4159/4885
US-10125106-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 KDM4E 4486/4885ALDH1A1 2228/4885HSD17B10 4159/4885
US-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 KDM4E 4486/4885ALDH1A1 2228/4885HSD17B10 4159/4885
US-10889550-B2 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 KDM4E 4486/4885ALDH1A1 2228/4885HSD17B10 4159/4885
US-20020137932-A1 Novel compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB KDM4E 3092/4885ALDH1A1 3685/4885HSD17B10 2354/4885

“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.