SCHEMBL5539617

SCHEMBL5539617

[CH2]c1cccc(-c2ccccc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.51
HTR1A P08908 1/20 0.46
GRIA1 P42261 1/20 0.42
CACNG8 Q8WXS5 1/20 0.42
MCL1 Q07820 1/20 0.42
CNR1 P21554 1/20 0.42
TRPA1 O75762 1/20 0.41
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
LCK P06239 1/20 0.39
KDR P35968 1/20 0.39
JAK3 P52333 1/20 0.39
MAPK14 Q16539 1/20 0.39
AR P10275 1/20 0.39
PDK2 Q15119 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL19577765 0.84 HTR7 (0.60) HTR7HTR1AGRIA1CACNG8MCL1
SCHEMBL29628983 0.84 HTR7 (0.60) HTR7HTR1AGRIA1CACNG8MCL1
SCHEMBL30612770 0.79 CA12 (0.54) HTR7HTR1AMCL1CNR1NPC1
SCHEMBL5025375 0.78 HTR7 (0.55) HTR7HTR1AMCL1CNR1LCK
SCHEMBL22698813 0.78 HTR7 (0.55) HTR7HTR1AGRIA1CACNG8MCL1
SCHEMBL2090907 0.78 HTR7 (0.46) HTR7GRIA1CACNG8
SCHEMBL29076649 0.77 CA12 (0.52) HTR7HTR1AMCL1CNR1NPC1
SCHEMBL2096699 0.76 CA12 (0.52) HTR7GRIA1CACNG8MCL1TRPA1
SCHEMBL5540460 0.75 PTPRC (0.47) TRPA1BACE1PDK2NPC1ALDH1A1
SCHEMBL28858307 0.75 HPGD (0.58) BACE1KDRARNPC1ALDH1A1

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
EP-0020685-B1 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED (1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS FMC Corporation (US) 1983-06-15 EP claimed
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
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
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0020685-B1 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED (1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS FMC Corporation (US) 1983-06-15 EP disclosed
EP-0020685-A4 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED (1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS. FMC CORP (US) 1981-07-16 EP disclosed
EP-0020685-A1 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED (1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS. FMC CORP (US) 1981-01-07 EP disclosed
US-4214004-A MITICIDES FMC CORPORATION (US) 1980-07-22 US disclosed
WO-1980001163-A1 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED(1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS FMC CORP (US) 1980-06-12 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 (1 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 HTR7 3656/4885HTR1A 4141/4885GRIA1 95/4885

“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.