SCHEMBL5546178

SCHEMBL5546178

[CH2]CCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.53
GPR84 Q9NQS5 1/20 0.43
NAAA Q02083 1/20 0.42
FFAR1 O14842 1/20 0.42
AKR1B1 P15121 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
NR4A2 P43354 1/20 0.41
GGPS1 O95749 2/20 0.40
AOC3 Q16853 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
IGF1R P08069 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP19A1 P11511 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BACE1 P56817 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
SCHEMBL3035756 0.94 AGXT (0.52) AGXTGPR84NAAAFFAR1AKR1B1
SCHEMBL5543381 0.92 AGXT (0.50) AGXTGPR84NAAAFFAR1AKR1B1
SCHEMBL5544652 0.88 AGXT (0.57) AGXTGPR84FFAR1AKR1B1FFAR4
SCHEMBL28309568 0.85 AGXT (0.58) AGXTCYP11B1CYP11B2MAOB
SCHEMBL29618101 0.83 SIGMAR1 (0.52) AGXTIGF1RALOX15MAOAMAOB
SCHEMBL5543001 0.81 FFAR1 (0.50) AGXTFFAR1MAOB
SCHEMBL58872 0.80 SIGMAR1 (0.54) ALOX15MAOAMAOB
SCHEMBL81571 0.80 ACMSD (0.49) AGXTGPR84GGPS1AOC3IGF1R
SCHEMBL11515483 0.80 PSMB5 (0.49) AGXTGGPS1
SCHEMBL30500519 0.80 PSMB5 (0.49) AGXTGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096563-A Composition for electronic device encapsulation, method for forming electronic device encapsulation film, and electronic device encapsulation film 柯尼卡美能达株式会社 2023-05-09 CN 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
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 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 (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 AGXT 2967/4885GPR84 318/4885NAAA 2414/4885

“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.