SCHEMBL5541833

SCHEMBL5541833

[CH2]n1c(=O)oc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 2/20 0.43
CBX7 O95931 2/20 0.43
CDYL Q9Y232 2/20 0.43
CDY1; CDY1B Q9Y6F8 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.41
ASAH1 Q13510 2/20 0.40
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIM1 P11309 1/20 0.35

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
SCHEMBL5546317 0.85 SIGMAR1 (0.44) NPC1SIGMAR1ALDH1A1HPGDCBX7
SCHEMBL750636 0.78 ALDH1A1 (0.53) NPC1SIGMAR1ALDH1A1HPGDLMNA
SCHEMBL5286912 0.78 MIF (0.53) NPC1ALDH1A1PKMTSHRKMT2A
SCHEMBL12049099 0.75 NPC1 (0.50) NPC1SIGMAR1ALDH1A1HPGDHTT
SCHEMBL12061417 0.74 NPC1 (0.64) NPC1SIGMAR1ALDH1A1HPGDHTT
SCHEMBL3543457 0.72 TSHR (0.57) ALDH1A1HPGDLMNATSHRMAPK1
SCHEMBL21616847 0.72 NPC1 (0.60) NPC1SIGMAR1ALDH1A1HPGDHTT
SCHEMBL3693833 0.70 NPC1 (0.56) NPC1SIGMAR1ALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL28948352 0.70 NPC1 (0.59) NPC1SIGMAR1ALDH1A1HPGDHTT
SCHEMBL4411794 0.69 HPGD (0.64) NPC1SIGMAR1ALDH1A1HPGDHTT

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 NPC1 2404/4885SIGMAR1 234/4885ALDH1A1 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.