SCHEMBL588568

SCHEMBL588568

FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(Br)cc2)=NO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
PKM P14618 2/20 0.35
ALDH1A1 P00352 1/20 0.34
PGR P06401 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PAX8 Q06710 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
HTT P42858 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL16274185 0.91 RECQL (0.43) RECQLPKMALDH1A1NPC1RAB9A
SCHEMBL1611209 0.88 HTT (0.41) RECQLPKMNPC1RAB9ASMN1; SMN2
SCHEMBL28971266 0.87 RECQL (0.36) RECQLPKMALDH1A1CA1CA2
SCHEMBL3123277 0.87 HTT (0.43) RECQLPKMNPC1RAB9ASMN1; SMN2
SCHEMBL1611047 0.87 RECQL (0.36) RECQLPKMHTTABL1RIN1
SCHEMBL3695100 0.87 RECQL (0.44) RECQLPKMNPC1RAB9ASMN1; SMN2
SCHEMBL3111479 0.86 RECQL (0.34) RECQLPKMCA1CA2
SCHEMBL3358580 0.86 RECQL (0.32) RECQLPKMCA1CA2
SCHEMBL112195 0.86 CA1 (0.32) RECQLPKMCA1CA2
SCHEMBL1611478 0.86 CA1 (0.32) RECQLPKMCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073910-B2 5-aryl isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-07-07 US disclosed
EP-2360157-B1 5-aryl isoxazolines for controlling invertebrate pests DU PONT (US) 2012-11-21 EP 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-1975149-B1 1,3-BIS(SUBSTITUTED PHENYL)-3-HYDROXYPROPAN-1-ONE OR 2-PROPEN-1-ONE COMPOUND, AND SALT THEREOF NISSAN CHEMICAL IND LTD (JP) 2012-02-15 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-7700808-B2 1-3-bis(substituted phenyl)-3-hydroxypropan-1-one or 2-propen-1-one compound, and salt thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-20 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
US-20090023923-A1 1,3-Bis(Substituted Phenyl)-3-Hydroxypropan-1-One or 2-Propen-1-One Compound, and Salt Thereof NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-01-22 US disclosed
EP-1975149-A1 1,3-BIS(SUBSTITUTED PHENYL)-3-HYDROXYPROPAN-1-ONE OR 2-PROPEN-1-ONE COMPOUND, AND SALT THEREOF Nissan Chemical Industries, Ltd. (JP) 2008-10-01 EP 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 (4 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 RECQL 695/4885PKM 4748/4885ALDH1A1 2079/4885
US-20090023923-A1 1,3-Bis(Substituted Phenyl)-3-Hydroxypropan-1-One or 2-Propen-1-One Compound, and Salt Thereof HCN1, CNPY2, CLIC1 RECQL 3888/4885PKM 3297/4885ALDH1A1 696/4885
US-20090133319-A1 5-Aryl Isoxazolines for Controlling Invertebrate Pests PRXL2A, C5, CBR3 RECQL 693/4885PKM 4703/4885ALDH1A1 2520/4885
US-20110152081-A1 5-ARYL ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS PRXL2A, C5, CBR3 RECQL 695/4885PKM 4748/4885ALDH1A1 2079/4885

“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.