SCHEMBL5543795

SCHEMBL5543795

O=c1[nH]c2ccccc2cc1-c1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.60
CHEK1 O14757 1/20 0.60
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 0.53
BRD4 O60885 1/20 0.50
DAO P14920 1/20 0.50
DDO Q99489 1/20 0.50
CDK5 Q00535 7/20 0.49
CDK5R1 Q15078 7/20 0.49
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
PIM1 P11309 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KDM4E B2RXH2 4/20 0.44

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
SCHEMBL2008746 0.86 KDR (0.68) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL29712353 0.86 KDR (0.68) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL5536447 0.83 KDR (0.55) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL30740090 0.80 KDM4E (0.60) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL3963947 0.80 CDK5 (0.68) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL30740091 0.80 KDR (0.60) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL29206326 0.80 BRD4 (0.64) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL11178624 0.80 KDM4E (0.60) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL11347026 0.80 CDK5 (0.65) KDRCHEK1PDGFRBFGFR1BRD4
SCHEMBL9384667 0.76 KDM4E (0.63) KDRCHEK1PDGFRBFGFR1BRD4

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 7 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
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 KDR 3886/4885CHEK1 4376/4885PDGFRB 4062/4885

“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.