SCHEMBL1035116

SCHEMBL1035116

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALPG P10696 1/20 0.39
ALOX12 P18054 1/20 0.39
ALPL P05186 2/20 0.38
PYGL P06737 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 4/20 0.35
TSHR P16473 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
MOK Q9UQ07 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL3110029 0.94 KDM4E (0.37) ALDH1A1KDM4EHSD17B10TP53LMNA
SCHEMBL3108617 0.91 MEN1 (0.36) ALDH1A1MAPTMEN1KMT2A
SCHEMBL871002 0.91 KMT2A (0.36) ALDH1A1KDM4EMAPTALPGALPL
SCHEMBL1036065 0.90 PDK2 (0.36) TP53LMNAMAPTHPGDCNR1
SCHEMBL3109810 0.89 LMNA (0.33) KDM4ETP53LMNAMAPK1NPC1
SCHEMBL3123578 0.89 ACACB (0.38)
SCHEMBL3115589 0.88 POLR1A (0.34) KDM4ETP53LMNA
SCHEMBL16687347 0.88 ORAI1 (0.34)
SCHEMBL1034275 0.88 PTGES (0.35) KDM4ETP53LMNAMAPTALPG
SCHEMBL3110825 0.88 TDP1 (0.34) ALDH1A1KDM4ETP53LMNATSHR

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 23 patents — showing the first 20. 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
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 EP 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-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents E.I. DU PONT DE NEMOURS AND COMPANY 2014-04-24 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-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents DU PONT (US) 2013-08-22 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-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 US disclosed
US-20100234219-A1 Isoxazolines for Controlling Invertebrate Pests CORTEVA AGRISCIENCE LLC 2010-09-16 US 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-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 (8 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 ALDH1A1 1910/4885KDM4E 3583/4885HSD17B10 970/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 ALDH1A1 1910/4885KDM4E 3583/4885HSD17B10 970/4885
US-20140249314-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 ALDH1A1 1132/4885KDM4E 4196/4885HSD17B10 2569/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 ALDH1A1 1910/4885KDM4E 3583/4885HSD17B10 970/4885
US-20130029845-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 ALDH1A1 1132/4885KDM4E 4196/4885HSD17B10 2569/4885
US-20100234219-A1 Isoxazolines for Controlling Invertebrate Pests C1S, C3AR1, CBR3 ALDH1A1 904/4885KDM4E 4124/4885HSD17B10 2604/4885
US-20140038821-A1 ISOXAZOLINES FOR CONTROLLING INVERTEBRATE PESTS C1S, C3AR1, CBR3 ALDH1A1 1132/4885KDM4E 4196/4885HSD17B10 2569/4885
US-20110263641-A1 Isoxazolines For Controlling Invertebrate Pests C1S, C3AR1, CBR3 ALDH1A1 1263/4885KDM4E 4249/4885HSD17B10 2670/4885

“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.