Sugi Predict

Sugi Predict / Compounds / SCHEMBL3102889

SCHEMBL3102889

SCHEMBL3102889

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.34
▸ BBOX1 O75936 1/20 0.34
▸ FTO Q9C0B1 1/20 0.34
▸ ORAI1 Q96D31 2/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ SHMT1 P34896 2/20 0.32
▸ SHMT2 P34897 2/20 0.32
▸ CXCR5 P32302 1/20 0.31
▸ KCNJ6 P48051 1/20 0.31
▸ KCNJ5 P48544 1/20 0.31
▸ KCNJ3 P48549 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ EGLN3 Q9H6Z9 1/20 0.31
▸ PTPRC P08575 2/20 0.31
▸ CTSL P07711 1/20 0.31
▸ PTPN13 Q12923 1/20 0.31
▸ TACR1 P25103 2/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ TACR3 P29371 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL3108617 0.91 MEN1 (0.36) EGLN1EGLN3
SCHEMBL1036753 0.91 ORAI1 (0.30) ORAI1
SCHEMBL1036065 0.90 PDK2 (0.36) ORAI1P2RX7
SCHEMBL1034275 0.90 PTGES (0.35) ORAI1CXCR5P2RX7
SCHEMBL119082 0.90 PTGES (0.32) ORAI1
SCHEMBL3113907 0.90 PDK2 (0.32) —
SCHEMBL3113195 0.90 PTGES (0.32) ORAI1
SCHEMBL29416682 0.90 PTGES (0.32) ORAI1
SCHEMBL20117288 0.90 PTGES (0.32) ORAI1
SCHEMBL871002 0.89 KMT2A (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222618-B1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS DU PONT (US) 2020-09-09 — — EP disclosed
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 — — EP disclosed
EP-2158188-B1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS DU PONT (US) 2017-04-26 — — EP disclosed
US-9095138-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 — — US disclosed
US-9023836-B2 Use of substituted heterocyclic compounds to control sea lice on fish NOVARTIS TIERGESUNDHEIT AG (CH) 2015-05-05 — — US disclosed
US-9023836-B2 Use of substituted heterocyclic compounds to control sea lice on fish NOVARTIS TIERGESUNDHEIT AG (CH) 2015-05-05 — — US disclosed
US-20150098928-A9 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-09 — — US disclosed
US-20140127165-A1 ISOXAZOLINE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-05-08 — — 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-8623875-B2 Isoxazoline insecticides E.I. DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 — — US disclosed
EP-2155701-B1 ISOXAZOLINE INSECTICIDES DU PONT (US) 2013-12-11 — — EP disclosed
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents DU PONT (US) 2013-08-22 — — US disclosed
US-20130095126-A1 USE OF SUBSTITUTED HETEROCYCLIC COMPOUNDS TO CONTROL SEA LICE ON FISH NOVARTIS TIERGESUNDHEIT AG (CH) 2013-04-18 — — US disclosed
US-20130095126-A1 USE OF SUBSTITUTED HETEROCYCLIC COMPOUNDS TO CONTROL SEA LICE ON FISH NOVARTIS TIERGESUNDHEIT AG (CH) 2013-04-18 — — US disclosed
US-8410153-B2 Naphthalene isoxazoline invertebrate pest control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-02 — — US disclosed
WO-2011157733-A2 NEW USE NOVARTIS AG (CH) 2011-12-22 — — WO 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-20100179195-A1 ISOXAZOLINE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-07-15 — — US disclosed
EP-2155701-A2 ISOXAZOLINE INSECTICIDES E. I. Du Pont de Nemours and Company (US) 2010-02-24 — — EP disclosed
WO-2008154528-A2 ISOXAZOLINE INSECTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-18 — — 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 (7 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 EGLN1 433/4885BBOX1 1338/4885FTO 3288/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 EGLN1 433/4885BBOX1 1338/4885FTO 3288/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 EGLN1 433/4885BBOX1 1338/4885FTO 3288/4885
US-20130095126-A1 USE OF SUBSTITUTED HETEROCYCLIC COMPOUNDS TO CONTROL SEA LICE ON FISH TYR, NISCH, GYPA EGLN1 999/4885BBOX1 2112/4885FTO 2240/4885
US-20150098928-A9 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 EGLN1 2189/4885BBOX1 546/4885FTO 2204/4885
US-20140127165-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 EGLN1 2189/4885BBOX1 546/4885FTO 2204/4885
US-20100179195-A1 ISOXAZOLINE INSECTICIDES CBR3, CYP4X1, PRDX1 EGLN1 2189/4885BBOX1 546/4885FTO 2204/4885

“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.