SCHEMBL5545462

SCHEMBL5545462

CCCCc1cccc(-c2ncc(CO[C]=O)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 1/20 0.36
FFAR1 O14842 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
QPCT Q16769 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
DCTPP1 Q9H773 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL5540526 0.80 CYP11B1 (0.49) HDAC1HDAC2CYP11B1CYP11B2SMN1; SMN2
SCHEMBL5545436 0.75 MEN1 (0.42) SMN1; SMN2CDK2CDK5CYP3A4CYP2C9
SCHEMBL9249590 0.74 XIAP (0.43) PPARGPPARA
SCHEMBL5540315 0.72 CYP1A2 (0.45) HDAC1HDAC2CYP11B1SMN1; SMN2PPARG
SCHEMBL2095790 0.72 MET (0.45) SMN1; SMN2PPARGPPARAHCRTR1HCRTR2
SCHEMBL2095788 0.72 LPL (0.43) SMN1; SMN2PPARGPPARA
SCHEMBL2821115 0.72 HDAC1 (0.56) HDAC1HDAC2CYP11B1CYP11B2SMN1; SMN2
SCHEMBL5540137 0.71 ADRA2A (0.32) HDAC1HDAC2PPARACYP3A4CYP2C9
SCHEMBL5542510 0.69 ALDH1A1 (0.36) SMN1; SMN2CCNE1CDK2CDK5CYP2C9
SCHEMBL5541836 0.69 HSD17B13 (0.39) CYP11B1CYP11B2FFAR1

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
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
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 HDAC1 322/4885HDAC2 502/4885CYP11B1 514/4885

“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.