Sugi Predict

Sugi Predict / Compounds / SCHEMBL1036682

SCHEMBL1036682

SCHEMBL1036682

ON=Cc1ccc(Br)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ HSP90AA1 P07900 3/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ MAPT P10636 5/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ HTT P42858 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TDP2 O95551 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL1036680 1.00 KDM4E (0.44) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL16643739 0.87 KMT2A (0.50) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL516772 0.87 PLAU (0.42) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL18980187 0.87 KMT2A (0.50) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL516773 0.87 PLAU (0.42) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL18979926 0.80 ADRA2A (0.37) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL18980195 0.80 ADRA2A (0.37) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL1038604 0.78 KDM4E (0.65) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL13249042 0.75 HPGD (0.46) KDM4ENPC1RAB9AL3MBTL1MAPT
SCHEMBL2516694 0.75 HPGD (0.46) KDM4ENPC1RAB9AL3MBTL1MAPT

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 17 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 claimed
US-20140249314-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-04 — — US claimed
US-8871941-B2 8-bromo-5-quinolinecarboxaldehyde oxime E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-10-28 — — US disclosed
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 4196/4885MEN1 4027/4885KMT2A 3232/4885
US-20130029845-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 KDM4E 4196/4885MEN1 4027/4885KMT2A 3232/4885
US-20100234219-A1 Isoxazolines for Controlling Invertebrate Pests C1S, C3AR1, CBR3 KDM4E 4124/4885MEN1 3828/4885KMT2A 3131/4885
US-20140038821-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 KDM4E 4196/4885MEN1 4027/4885KMT2A 3232/4885
US-20110263641-A1 Isoxazolines For Controlling Invertebrate Pests C1S, C3AR1, CBR3 KDM4E 4249/4885MEN1 4022/4885KMT2A 3193/4885

“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.