SCHEMBL5542566

SCHEMBL5542566

O=CCCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.50
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ FDFT1 P37268 2/20 0.45
▸ MAOB P27338 1/20 0.44
▸ MIF P14174 1/20 0.42
▸ PDPK1 O15530 1/20 0.41
▸ DAO P14920 4/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL3245716 0.98 HDAC1 (0.51) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL23176838 0.98 HDAC1 (0.51) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL3244845 0.94 TAAR1 (0.52) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL67365 0.86 TAAR1 (0.55) HDAC1HDAC8TAAR1MAOBMIF
SCHEMBL5539497 0.86 PTPN2 (0.45) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5543455 0.84 PTPN2 (0.44) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL11932723 0.81 MAOB (0.58) HDAC1HDAC8TAAR1FDFT1MAOB
SCHEMBL5542719 0.81 HDAC1 (0.53) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5540875 0.81 HDAC1 (0.53) HDAC1HDAC8TAAR1PTPN2PTPN1
SCHEMBL5541663 0.80 DAO (0.41) HDAC1HDAC8DAOIDO1

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-113861066-A Deuterated maleic acid fluvoxamine and synthesis method thereof 青岛职业技术学院 2021-12-31 — — CN claimed
EP-0881221-B1 DIOXANE DERIVATIVES, LIQUID-CRYSTAL COMPOSITIONS CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY DEVICES MADE BY USING THE SAME JNC CORP (JP) 2016-06-29 — — EP 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
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-6235355-B1 OPTICAL APPARATUS WITH LIQUID CRYSTALS CHISSO CORPORATION (JP) 2001-05-22 — — US disclosed
EP-0881221-A1 DIOXANE DERIVATIVES, LIQUID-CRYSTAL COMPOSITIONS CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY DEVICES MADE BY USING THE SAME CHISSO CORPORATION (JP) 1998-12-02 — — 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 HDAC1 322/4885HDAC8 993/4885TAAR1 364/4885

“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.

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