SCHEMBL5541983

SCHEMBL5541983

[CH2]C=CNc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 9/20 0.43
NPC1 O15118 7/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
STAT1 P42224 1/20 0.43
TGM2 P21980 2/20 0.41
F13A1 P00488 1/20 0.41
LMNA P02545 1/20 0.41
TGM1 P22735 1/20 0.41
TGM3 Q08188 1/20 0.41
MAPT P10636 4/20 0.40
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39

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
SCHEMBL5541980 1.00 CYP2D6 (0.47) CYP2D6CYP2C9KDM4ECYP1A2CYP2C19
SCHEMBL3874852 0.75 ALDH1A1 (0.50) CYP2D6CYP2C9KDM4ECYP1A2CYP2C19
SCHEMBL3874849 0.75 ALDH1A1 (0.50) CYP2D6CYP2C9KDM4ECYP1A2CYP2C19
SCHEMBL5543119 0.71 TGM2 (0.46) RAB9ANPC1SMN1; SMN2GAATGM2
SCHEMBL5543113 0.71 TGM2 (0.46) RAB9ANPC1SMN1; SMN2GAATGM2
SCHEMBL515529 0.70 ALDH1A1 (0.56) CYP2D6CYP2C9KDM4ECYP1A2CYP2C19
SCHEMBL3083947 0.70 CA1 (0.43) CYP2D6CYP2C9KDM4ECYP1A2CYP2C19
SCHEMBL9735698 0.69 RAB9A (0.49) CYP2D6CYP2C9KDM4ECYP1A2CYP2C19
SCHEMBL9735705 0.69 RAB9A (0.49) CYP2D6CYP2C9KDM4ECYP1A2CYP2C19
SCHEMBL3893966 0.68 CYP2D6 (0.44) CYP2D6CYP2C9KDM4ECYP1A2CYP2C19

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 CYP2D6 728/4885CYP2C9 2351/4885KDM4E 4854/4885

“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.