SCHEMBL5544906

SCHEMBL5544906

O=[C]OCCc1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.52
▸ PNMT P11086 1/20 0.47
▸ IDO1 P14902 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2A13 Q16696 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CTSG P08311 1/20 0.34
▸ CMA1 P23946 1/20 0.34
▸ PTPRC P08575 1/20 0.33
▸ PTPRG P23470 1/20 0.33

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
SCHEMBL2094946 0.85 TAAR1 (0.48) TAAR1PNMTIDO1SMN1; SMN2
SCHEMBL1683184 0.83 IDO1 (0.60) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL24822382 0.76 TAAR1 (0.57) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL7438258 0.76 TAAR1 (0.57) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL5544911 0.75 TAAR1 (0.52) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL47779 0.75 TAAR1 (0.52) TAAR1PNMTIDO1KDM4EALDH1A1
SCHEMBL5547218 0.73 MAOB (0.32) —
SCHEMBL5546656 0.73 PSMB5 (0.39) —
SCHEMBL98917 0.73 IDO1 (0.55) TAAR1PNMTIDO1SMN1; SMN2
SCHEMBL10690855 0.72 TAAR1 (0.63) TAAR1PNMTIDO1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 TAAR1 364/4885PNMT 4701/4885IDO1 3181/4885

“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.

Send feedback