SCHEMBL5540899

SCHEMBL5540899

[CH2]CCC=CNc1ccc(I)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL5540897 1.00 KDM4E (0.31) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5546314 0.80 KMT2A (0.42) KDM4ECYP1A2CYP2D6
SCHEMBL5546312 0.80 KMT2A (0.42) KDM4ECYP1A2CYP2D6
SCHEMBL5541563 0.77 MAPT (0.44) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5541559 0.77 MAPT (0.44) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5535559 0.70 ALDH1A1 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19CA1
SCHEMBL5535560 0.70 ALDH1A1 (0.36) CYP1A2CYP2D6CYP2C9CYP2C19CA1
SCHEMBL5541182 0.69 KMT2A (0.40) KDM4ECYP1A2CYP2D6
SCHEMBL5541179 0.69 KMT2A (0.40) KDM4ECYP1A2CYP2D6
SCHEMBL5542705 0.64 MAPT (0.41) KDM4ECA1CA2

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 KDM4E 4854/4885CYP1A2 659/4885CYP2D6 728/4885

“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.