SCHEMBL1038604

SCHEMBL1038604

O=Cc1ccc(Br)c2ncccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
KMT2A Q03164 5/20 0.65
MEN1 O00255 3/20 0.65
HSP90AA1 P07900 3/20 0.65
NPC1 O15118 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
IDO1 P14902 1/20 0.65
RAB9A P51151 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
CCR1 P32246 1/20 0.53
CCR5 P51681 1/20 0.53
CCR8 P51685 1/20 0.53
TRIM24 O15164 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
MAPT P10636 2/20 0.46
APAF1 O14727 1/20 0.46
TDP2 O95551 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL2011852 0.86 KMT2A (0.56) KDM4EKMT2AMEN1HSP90AA1NPC1
SCHEMBL516559 0.86 CCR1 (0.63) KDM4EKMT2AMEN1HSP90AA1NPC1
SCHEMBL28597833 0.79 KDM4E (0.65) KDM4EKMT2AMEN1HSP90AA1NPC1
SCHEMBL29984681 0.79 KDM4E (0.65) KDM4EKMT2AMEN1HSP90AA1NPC1
SCHEMBL30080768 0.79 KDM4E (1.00) KDM4EKMT2AMEN1HSP90AA1NPC1
SCHEMBL23714069 0.79 KMT2A (0.65) KDM4EKMT2AMEN1HSP90AA1NPC1
SCHEMBL700910 0.79 KDM4E (1.00) KDM4EKMT2AMEN1HSP90AA1NPC1
SCHEMBL196848 0.78 KMT2A (0.68) KDM4EKMT2AMEN1HSP90AA1NPC1
SCHEMBL1036682 0.78 KDM4E (0.44) KDM4EKMT2AMEN1HSP90AA1NPC1
SCHEMBL1036680 0.78 KDM4E (0.44) KDM4EKMT2AMEN1HSP90AA1NPC1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871941-B2 8-bromo-5-quinolinecarboxaldehyde oxime E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-10-28 US disclosed
US-20140249314-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-04 US disclosed
US-20140038821-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-06 US disclosed
US-8552218-B2 Isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-10-08 US disclosed
US-20130029845-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
CN-101351456-B Isoxazolines for controlling invertebrate pests DU PONT 2012-10-03 CN disclosed
US-8231888-B2 Isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-31 US disclosed
US-20110263641-A1 Isoxazolines For Controlling Invertebrate Pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-27 US disclosed
US-7964204-B2 Isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-21 US disclosed
EP-1973888-B1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2011-01-26 EP disclosed
US-20100234219-A1 Isoxazolines for Controlling Invertebrate Pests CORTEVA AGRISCIENCE LLC 2010-09-16 US disclosed
CN-101351456-A Isoxazolines for controlling invertebrate pests DU PONT (US) 2009-01-21 CN disclosed
EP-1973888-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-01 EP disclosed
WO-2007079162-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-12 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 (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-20140249314-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 KDM4E 4196/4885KMT2A 3232/4885MEN1 4027/4885
US-20130029845-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 KDM4E 4196/4885KMT2A 3232/4885MEN1 4027/4885
US-20100234219-A1 Isoxazolines for Controlling Invertebrate Pests C1S, C3AR1, CBR3 KDM4E 4124/4885KMT2A 3131/4885MEN1 3828/4885
US-20140038821-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 KDM4E 4196/4885KMT2A 3232/4885MEN1 4027/4885
US-20110263641-A1 Isoxazolines For Controlling Invertebrate Pests C1S, C3AR1, CBR3 KDM4E 4249/4885KMT2A 3193/4885MEN1 4022/4885

“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.