SCHEMBL5542927

SCHEMBL5542927

Fc1c(F)c(F)c(C2=CCNCC2)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.50
HTR6 P50406 8/20 0.50
HTR2A P28223 5/20 0.50
HTR7 P34969 4/20 0.50
SIGMAR1 Q99720 2/20 0.50
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
RAD52 P43351 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
QDPR P09417 2/20 0.47
HTR1B P28222 1/20 0.43
HTR3A P46098 1/20 0.43

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
SCHEMBL24196806 0.78 SIGMAR1 (0.55) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL14085309 0.77 HTR2A (0.32) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL27518176 0.76 SIGMAR1 (0.44) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL13999800 0.75 SIGMAR1 (0.45) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL12895284 0.75 QDPR (0.51) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL25328675 0.75 HTR2C (0.53) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL24671095 0.75 HTR2C (0.44) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL7396564 0.74 HTR6 (0.51) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL532892 0.72 HTR2C (0.66) HTR2CHTR6HTR2AHTR7SIGMAR1
SCHEMBL3386020 0.72 SIGMAR1 (0.59) HTR2CHTR6HTR2AHTR7SIGMAR1

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 HTR2C 2910/4885HTR6 3976/4885HTR2A 4120/4885

“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.