SCHEMBL5536748

SCHEMBL5536748

CC(C)c1ccc2oc[c]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
PTPN1 P18031 1/20 0.37
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
ALOX12 P18054 1/20 0.33
HIF1A Q16665 1/20 0.33
ATM Q13315 1/20 0.32
RNASEH1 O60930 1/20 0.32

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
SCHEMBL5536750 0.85 LMNA (0.39) LMNAPTPN1TRPA1PTGS1CACNA1C
SCHEMBL209082 0.74 ALDH1A1 (0.34) TRPA1ALDH1A1KDM4ENPC1TP53
SCHEMBL9202455 0.68 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL13445420 0.64 TBK1 (0.49) LMNAPTPN1TRPA1PTGS1CACNA1C
SCHEMBL2607415 0.64 HTR1B (0.49) PTPN1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5523343 0.61 DYRK1A (0.45) LMNAPTPN1TRPA1PTGS1CACNA1C
SCHEMBL5535202 0.61 ALDH1A1 (0.37) LMNAPTPN1TRPA1PTGS1CACNA1C
SCHEMBL15912346 0.61 PTPN1 (0.55) LMNAPTPN1TRPA1PTGS1CACNA1C
SCHEMBL5546366 0.61 LMNA (0.39) LMNAPTPN1TRPA1PTGS1CACNA1C
SCHEMBL787854 0.61 PTPN1 (0.55) LMNAPTPN1TRPA1PTGS1CACNA1C

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 10 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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 LMNA 4152/4885PTPN1 1427/4885TRPA1 3038/4885

“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.