SCHEMBL536594

SCHEMBL536594

N#Cc1cc(C2=NOC(c3cc(Br)cc(Br)c3)(C(F)(F)F)C2)ccc1-n1cncn1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL12497104 0.90 GRM7 (0.32) GRM7
SCHEMBL12611337 0.90 GRM7 (0.32) GRM7
SCHEMBL536516 0.90 GRM7 (0.32) GRM7
SCHEMBL4753403 0.89 GRM7 (0.33) GRM7
SCHEMBL4753393 0.88 GRM7 (0.31) GRM7
SCHEMBL117847 0.88 GRM7 (0.33) GRM7
SCHEMBL29416613 0.88 GRM7 (0.33) GRM7
SCHEMBL28462210 0.85 GRM7 (0.31) GRM7
SCHEMBL4752991 0.85 ALDH1A1 (0.36) GRM7CYP1A2CYP2C9CYP2C19
SCHEMBL4916085 0.85 S1PR3 (0.32) GRM7

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-20120053051-A9 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-01 US claimed
EP-1966195-B1 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2012-02-08 EP claimed
US-20110152081-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 US claimed
US-7897630-B2 5-aryl isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-01 US claimed
US-20090133319-A1 5-Aryl Isoxazolines for Controlling Invertebrate Pests E. I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-05-28 US claimed
EP-1966195-A2 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-09-10 EP claimed
WO-2007075459-A2 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-07-05 WO claimed
CN-102643244-B For preventing and treating the 5-aryl isoxazoline of invertebrate pests E. I. Du Pont Company (US) 2016-01-06 CN disclosed
US-9073910-B2 5-aryl isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-07-07 US disclosed
US-20120053051-A9 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-01 US disclosed
EP-1966195-B1 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2012-02-08 EP disclosed
EP-2360157-A1 5-aryl isoxazolines for controlling invertebrate pests E. I. du Pont de Nemours and Company (US) 2011-08-24 EP disclosed
US-20110152081-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-23 US disclosed
US-7897630-B2 5-aryl isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-01 US disclosed
US-20090133319-A1 5-Aryl Isoxazolines for Controlling Invertebrate Pests E. I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-05-28 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-20120053051-A9 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS PRXL2A, C5, CBR3 GRM7 1398/4885CYP1A2 98/4885CYP2C9 225/4885
US-20090133319-A1 5-Aryl Isoxazolines for Controlling Invertebrate Pests PRXL2A, C5, CBR3 GRM7 1496/4885CYP1A2 155/4885CYP2C9 312/4885
US-20110152081-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS PRXL2A, C5, CBR3 GRM7 1398/4885CYP1A2 98/4885CYP2C9 225/4885

“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.