SCHEMBL540514

SCHEMBL540514

O=C1c2ccccc2C(=O)N1Cc1ccc(I)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.62
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
HDAC1 Q13547 2/20 0.57
HDAC7 Q8WUI4 1/20 0.57
NPSR1 Q6W5P4 1/20 0.54
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
KMT2A Q03164 3/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL29802648 1.00 CASP3 (0.62) CASP3CA12CA1CA2CA9
SCHEMBL11167209 0.84 CASP3 (0.67) CASP3CA12CA1CA2CA9
SCHEMBL30472950 0.84 CASP3 (0.85) CASP3CA12CA1CA2CA9
SCHEMBL326305 0.84 CASP3 (0.85) CASP3CA12CA1CA2CA9
SCHEMBL18668950 0.82 CES2 (0.67) CASP3CA12CA1CA2CA9
SCHEMBL29820192 0.82 CASP3 (0.65) CASP3CA12CA1CA2CA9
SCHEMBL9053599 0.82 CASP3 (0.65) CASP3CA12CA1CA2CA9
SCHEMBL8737445 0.82 CASP3 (0.65) CASP3CA12CA1CA2CA9
SCHEMBL3175301 0.81 CASP3 (0.65) CASP3CA12CA1CA2CA9
SCHEMBL4786496 0.81 CES1 (0.77) CASP3TSHRALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002356-A1 COMPOUNDS AND USES THEREOF PANO THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
US-20230002356-A1 COMPOUNDS AND USES THEREOF PANO THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
EP-4031246-A1 COMPOUNDS AND USES THEREOF Pano Therapeutics, Inc. (US) 2022-07-27 EP disclosed
WO-2021055637-A1 COMPOUNDS AND USES THEREOF PANO THERAPEUTICS, INC. (US) 2021-03-25 WO disclosed
EP-2253333-B1 Contrast Agents for Myocardial Perfusion Imaging LANTHEUS MEDICAL IMAGING INC (US) 2019-06-12 EP disclosed
EP-2253333-B1 Contrast Agents for Myocardial Perfusion Imaging LANTHEUS MEDICAL IMAGING INC (US) 2019-06-12 EP disclosed
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 US disclosed
EP-1740225-A4 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL MYERS SQUIBB CO (US) 2009-08-19 EP disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 US disclosed
EP-1740225-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005105159-A2 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-10 WO disclosed
US-20050244332-A1 Contrast agents for myocardial perfusion imaging CITIZENS BANK, N.A. 2005-11-03 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 (3 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-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CASP3 4174/4885CA12 1070/4885CA1 2440/4885
US-20050244332-A1 Contrast agents for myocardial perfusion imaging TNNI3, TNNT2, FABP3 CASP3 4174/4885CA12 1070/4885CA1 2440/4885
US-20230002356-A1 COMPOUNDS AND USES THEREOF HIF1AN, HIF1A, EGLN2 CASP3 234/4885CA12 227/4885CA1 470/4885

“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.