SCHEMBL5544618

SCHEMBL5544618

O=COCCCCCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.56
NAAA Q02083 2/20 0.48
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRM2 P08172 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
LMNA P02545 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 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
SCHEMBL5252530 1.00 HRH1 (0.56) HRH1NAAAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL5536480 0.98 HRH1 (0.53) HRH1NAAAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL4334489 0.93 HRH1 (0.50) HRH1NAAAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL5252807 0.86 HRH1 (0.50) HRH1ALDH1A1CYP1A2SMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL27562976 0.85 CA12 (0.49) HRH1ALDH1A1CYP1A2SMN1; SMN2CYP2C19
Bromide SCHEMBL28768599 0.85 CA12 (0.49) HRH1ALDH1A1CYP1A2SMN1; SMN2CYP2C19
SCHEMBL7448741 0.81 HRH1 (0.65) HRH1NAAAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL1807177 0.81 HRH1 (0.65) HRH1NAAAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL7449958 0.81 HRH1 (0.65) HRH1NAAAALDH1A1CYP1A2SMN1; SMN2
SCHEMBL7452998 0.81 HRH1 (0.65) HRH1NAAAALDH1A1CYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH1 668/4885NAAA 2414/4885ALDH1A1 355/4885

“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.