SCHEMBL1036065

SCHEMBL1036065

CCNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.36
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.33
BRD4 O60885 1/20 0.33
CNR1 P21554 1/20 0.33
ORAI1 Q96D31 2/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
KCNA3 P22001 1/20 0.32
ITGB1 P05556 2/20 0.32
ITGA4 P13612 2/20 0.32
P2RX7 Q99572 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ELOVL6 Q9H5J4 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3113907 0.94 PDK2 (0.32) PDK2
SCHEMBL16687347 0.91 ORAI1 (0.34) ORAI1P2RX7CA1CA2
SCHEMBL1034275 0.91 PTGES (0.35) LMNAHPGDORAI1P2RX7TP53
SCHEMBL3108617 0.90 MEN1 (0.36) PDK2MAPT
SCHEMBL871002 0.90 KMT2A (0.36) PDK2CDK1MAPT
SCHEMBL3102889 0.90 EGLN1 (0.34) ORAI1P2RX7
SCHEMBL21863693 0.90 PDK2 (0.39) PDK2HPGDBRD4CNR1ORAI1
SCHEMBL1035116 0.90 ALDH1A1 (0.39) LMNAHPGDCNR1TP53MAPT
SCHEMBL883221 0.89 HPGD (0.31) HPGDORAI1P2RX7
SCHEMBL3108150 0.89 PDK2 (0.34) PDK2CNR1KCNA3P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038821-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-06 US claimed
US-20130029845-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-01-31 US claimed
US-7964204-B2 Isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-21 US claimed
EP-1973888-B1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2011-01-26 EP claimed
US-20100234219-A1 Isoxazolines for Controlling Invertebrate Pests CORTEVA AGRISCIENCE LLC 2010-09-16 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-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
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

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 PDK2 2835/4885LMNA 2853/4885HPGD 3468/4885
US-20130029845-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 PDK2 2835/4885LMNA 2853/4885HPGD 3468/4885
US-20100234219-A1 Isoxazolines for Controlling Invertebrate Pests C1S, C3AR1, CBR3 PDK2 2739/4885LMNA 2824/4885HPGD 3550/4885
US-20140038821-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 PDK2 2835/4885LMNA 2853/4885HPGD 3468/4885
US-20110263641-A1 Isoxazolines For Controlling Invertebrate Pests C1S, C3AR1, CBR3 PDK2 3207/4885LMNA 2912/4885HPGD 3773/4885

“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.