SCHEMBL5540532

SCHEMBL5540532

CCCCCCN(CCCCCC)CCCCCCCCCCCCO[C]=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
DNM1 Q05193 3/20 0.38
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL5535066 1.00 THRA (0.39) THRATHRBDNM1KDM5APHF8
SCHEMBL5543603 0.96 THRA (0.39) THRATHRBKDM5APHF8KDM4C
SCHEMBL5539290 0.94 MAOA (0.37) THRATHRB
SCHEMBL5542289 0.89 KCNH2 (0.39) KDM5AKDM4C
SCHEMBL2858733 0.87 CA1 (0.43) THRBLPAR1LPAR3LPAR2CA1
SCHEMBL157306 0.87 CA1 (0.43) THRBLPAR1LPAR3LPAR2CA1
SCHEMBL2861027 0.87 CA1 (0.43) THRBLPAR1LPAR3LPAR2CA1
SCHEMBL55803 0.87 CA1 (0.43) THRBLPAR1LPAR3LPAR2CA1
SCHEMBL77312 0.87 CA1 (0.43) THRBLPAR1LPAR3LPAR2CA1
SCHEMBL2855746 0.87 CA1 (0.43) THRBLPAR1LPAR3LPAR2CA1

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 THRA 434/4885THRB 488/4885DNM1 1442/4885

“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.