SCHEMBL5540536

SCHEMBL5540536

CCCCCCN(CCCCCC)CCCCCCCCCCCCOC=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
DNM1 Q05193 3/20 0.38
TSHR P16473 1/20 0.37
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
BCHE P06276 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NAAA Q02083 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
SCHEMBL5535070 1.00 ADH1C (0.39) ADH1CADH1AADH4THRATHRB
SCHEMBL4449834 0.96 THRA (0.42) THRATHRBTSHRKDM5APHF8
SCHEMBL5543608 0.96 THRA (0.39) ADH1CADH1AADH4THRATHRB
SCHEMBL5539296 0.92 MAOA (0.39) ADH1CADH1AADH4THRATHRB
SCHEMBL11756349 0.90 ADH1C (0.36) ADH1CADH1AADH4THRATHRB
SCHEMBL5542296 0.89 KCNH2 (0.39) KDM5AKDM4C
SCHEMBL5720373 0.88 LMNA (0.39) THRATHRBTSHRKDM5ABCHE
Heptyl Formate SCHEMBL93149 0.87 TSHR (0.46) ADH1CADH1AADH4THRBTSHR
Hexyl Formate SCHEMBL59493 0.87
SCHEMBL55804 0.87 TSHR (0.46) ADH1CADH1AADH4THRBTSHR

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 ADH1C 285/4885ADH1A 494/4885ADH4 351/4885

“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.