SCHEMBL5543922

SCHEMBL5543922

FC(F)(F)Oc1ccc2[c]cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.40
KIF11 P52732 1/20 0.38
PIM1 P11309 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 2/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
SLC6A2 P23975 1/20 0.36
SCN4A P35499 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL5543057 0.86 GPR3 (0.40) GPR3KIF11PIM1NPC1RAB9A
SCHEMBL6413688 0.82
SCHEMBL5538519 0.77 GPR3 (0.36) GPR3KIF11PIM1NPC1RAB9A
SCHEMBL152913 0.77 CYP1A2 (0.55) NPC1RAB9ALMNACYP1A2SMN1; SMN2
SCHEMBL2723529 0.75 CYP1A2 (0.52) GPR3KIF11PIM1NPC1RAB9A
SCHEMBL17816158 0.75 CYP1A2 (0.52) GPR3KIF11PIM1NPC1RAB9A
SCHEMBL18207374 0.74 LTA4H (0.43) NPC1RAB9AGAATP53SMN1; SMN2
SCHEMBL1447792 0.73 BACE1 (0.37) GPR3KIF11PIM1GAAPKM
SCHEMBL7199090 0.72 CYP1A2 (0.33) CYP1A2
SCHEMBL2213551 0.72 NQO1 (0.43) NPC1GAATP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 EP disclosed
CN-106572659-A Noxious arthropod control agent containing amide compound 住友化学株式会社 2017-04-19 CN disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 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 (2 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 GPR3 80/4885KIF11 3946/4885PIM1 3129/4885
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 GPR3 1487/4885KIF11 4222/4885PIM1 4491/4885

“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.