SCHEMBL5546396

SCHEMBL5546396

O=[C]CSc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
ITGB2 P05107 3/20 0.42
ICAM1 P05362 3/20 0.42
ITGAL P20701 3/20 0.42
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
CTSK P43235 1/20 0.38
CA2 P00918 1/20 0.36

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
SCHEMBL6541714 0.85 TDP1 (0.44) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL5546274 0.81 CA2 (0.36) ARMRGPRX4ALDH1A1LMNATP53
SCHEMBL14774993 0.78 KMT2A (0.36) GAAMAPK1CTSKMEN1KMT2A
SCHEMBL6212441 0.76 PDE7A (0.54) ALDH1A1MAPK1CA2MEN1KMT2A
SCHEMBL2953965 0.76 RAB9A (0.42) MAPTALDH1A1LMNASMN1; SMN2GAA
SCHEMBL18793099 0.75 ITGB2 (0.47) ARMRGPRX4ITGB2ICAM1ITGAL
SCHEMBL5537245 0.74 ALDH1A1 (0.35) ARMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11539625 0.74 ITGB2 (0.46) ARMRGPRX4ITGB2ICAM1ITGAL
SCHEMBL11841338 0.74 ITGB2 (0.46) ARMRGPRX4ITGB2ICAM1ITGAL
SCHEMBL11200775 0.72 ITGB2 (0.48) ARMRGPRX4ITGB2ICAM1ITGAL

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-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 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 AR 254/4885MRGPRX4 3620/4885ITGB2 558/4885

“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.