SCHEMBL5540945

SCHEMBL5540945

FC(F)(F)c1cccc(-n2c[c]cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.46
ALDH1A1 P00352 3/20 0.45
HTR2C P28335 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR1D P28221 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 2/20 0.41
EPHX2 P34913 1/20 0.41
ALOX5 P09917 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
AR P10275 1/20 0.39

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
SCHEMBL2753156 0.82 ADRB1 (0.38) NOTUMALDH1A1AR
SCHEMBL5445153 0.79 TDP1 (0.35) NOTUMALDH1A1TSHR
SCHEMBL300208 0.77 KEAP1 (0.42) NOTUMALDH1A1HTR2CMAPTALOX5
SCHEMBL2753545 0.75 NOTUM (0.37) NOTUMAR
SCHEMBL2749018 0.73 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL2751112 0.73 ALDH1A1 (0.44) NOTUMALDH1A1MAPTARMEN1
SCHEMBL27634381 0.72 COMT (0.46) ALDH1A1HTTTSHRMAPK1
SCHEMBL1895992 0.72 NOTUM (0.49) NOTUMALDH1A1HTR2CHTR3EHTR3B
SCHEMBL7938364 0.72 NOTUM (0.60) NOTUMALDH1A1HTR2CHTR3EHTR3B
SCHEMBL8634060 0.71 NOTUM (0.47) NOTUMALDH1A1HTR2CHTR3EHTR3B

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
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
US-5207816-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-05-04 US 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 NOTUM 3827/4885ALDH1A1 355/4885HTR2C 2910/4885

“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.