SCHEMBL5535202

SCHEMBL5535202

CC(C)c1ccc2o[c]cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
PTPN1 P18031 1/20 0.34
TBK1 Q9UHD2 2/20 0.34
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
HIF1A Q16665 2/20 0.33
UGT2B7 P16662 1/20 0.33
ALOX12 P18054 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
SCHEMBL533276 0.85 LMNA (0.35) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL19610460 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10GAAALOX15
SCHEMBL4146968 0.69 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL3378032 0.69 CA12 (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL207632 0.69 MAOB (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL146387 0.69 CYP2A6 (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL15003307 0.69 UGT2B7 (0.54) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL533282 0.69 CYP2A6 (0.47) ALDH1A1NPC1RAB9AKDM4EMAPT
SCHEMBL4832080 0.69 UGT2B7 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL181347 0.69 UGT2B7 (0.58) ALDH1A1NPC1RAB9AMEN1KMT2A

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
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-5278166-A 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1994-01-11 US 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 ALDH1A1 355/4885NPC1 2404/4885RAB9A 2824/4885

“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.