SCHEMBL119082

SCHEMBL119082

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.32
ORAI1 Q96D31 1/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FAP Q12884 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PREP P48147 1/20 0.30
POLB P06746 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
SCHEMBL3113195 1.00 PTGES (0.32) PTGESORAI1KMT2AKDM4EATM
SCHEMBL29416682 1.00 PTGES (0.32) PTGESORAI1KMT2AKDM4EATM
SCHEMBL20117288 1.00 PTGES (0.32) PTGESORAI1KMT2AKDM4EATM
Afoxolaner SCHEMBL18054743 0.94 PTGES (0.33) PTGESHPGDPOLB
Esafoxolaner SCHEMBL18054742 0.94 PTGES (0.33) PTGESHPGDPOLB
Afoxolaner SCHEMBL119580 0.94 PTGES (0.33) PTGESHPGDPOLB
Afoxolaner SCHEMBL29367347 0.94 PTGES (0.33) PTGESHPGDPOLB
Afoxolaner SCHEMBL29358921 0.94 PTGES (0.33) PTGESHPGDPOLB
SCHEMBL21168921 0.94 LMNA (0.32) PTGESORAI1KDM4EFAP
Esafoxolaner SCHEMBL29413811 0.94 PTGES (0.33) PTGESHPGDPOLB

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 EP claimed
US-8962681-B2 Use of aminoacetonitrile derivatives against endoparasites ZOETIS LLC (US) 2015-02-24 US claimed
WO-2013057624-A9 USE OF AMINOACETONITRILE DERIVATIVES AGAINST ENDOPARASITES ZOETIS LLC (US) 2014-10-30 WO claimed
US-20140243408-A1 USE OF AMINOACETONITRILE DERIVATIVES AGAINST ENDOPARASITES ZOETIS SERVICES LLC 2014-08-28 US claimed
EP-2768497-A1 USE OF AMINOACETONITRILE DERIVATIVES AGAINST ENDOPARASITES Zoetis LLC (US) 2014-08-27 EP claimed
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents E.I. DU PONT DE NEMOURS AND COMPANY 2014-04-24 US claimed
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents DU PONT (US) 2013-08-22 US claimed
WO-2013057624-A1 USE OF AMINOACETONITRILE DERIVATIVES AGAINST ENDOPARASITES AH USA 42 LLC (US) 2013-04-25 WO claimed
EP-2424347-A1 PESTICIDE COMPOSITIONS AND APPLICATORS BASF Corporation (US) 2012-03-07 EP claimed
EP-2424370-A2 FOAMABLE PESTICIDE COMPOSITIONS BASF Corporation (US) 2012-03-07 EP claimed
WO-2011147952-A1 PESTICIDAL MIXTURES BASF SE (DE) 2011-12-01 WO claimed
US-7964204-B2 Isoxazolines for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-21 US claimed
WO-2011025789-A2 FOAMABLE PESTICIDE COMPOSITIONS AND METHODS OF APPLICATION BASF CORPORATION (US) 2011-03-03 WO claimed
EP-1973888-B1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2011-01-26 EP claimed
US-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 US claimed
US-11324220-B2 Process for the preparation of isoxazoline compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-05-10 US disclosed
EP-3440062-B1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED ISOXAZOLINE COMPOUNDS - CRYSTALLINE TOLUENE SOLVATE OF (S)-AFOXOLANER BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-10-06 EP disclosed
EP-2158188-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. Du Pont de Nemours and Company (US) 2010-03-03 EP disclosed
WO-2010003877-A1 PESTICIDAL MIXTURES COMPRISING ISOXAZOLINE COMPOUNDS II BASF SE (DE) 2010-01-14 WO disclosed
WO-2009002809-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-31 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-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS C1S, C1R, C9 PTGES 3867/4885ORAI1 2971/4885KMT2A 3444/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 PTGES 3867/4885ORAI1 2971/4885KMT2A 3444/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 PTGES 3867/4885ORAI1 2971/4885KMT2A 3444/4885
US-11324220-B2 Process for the preparation of isoxazoline compounds CYP3A7, CYP3A4, CYP3A5 PTGES 2136/4885ORAI1 3906/4885KMT2A 1079/4885
US-20140243408-A1 USE OF AMINOACETONITRILE DERIVATIVES AGAINST ENDOPARASITES DDC, ARG1, NAT1 PTGES 3567/4885ORAI1 3292/4885KMT2A 1507/4885

“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.