SCHEMBL5539432

SCHEMBL5539432

Cc1cc(CN[CH]c2ccccc2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.42
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
MMP10 P09238 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
DAO P14920 1/20 0.35
KDM1A O60341 1/20 0.35
ACHE P22303 1/20 0.34
TSHR P16473 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 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
SCHEMBL5535940 0.85 KDM1A (0.47) KDM1AADH1BADH1CADH1AADH7
SCHEMBL5545050 0.78 MAPT (0.38) SLC6A2SLC6A4SLC6A3KDM1AADH1B
SCHEMBL5534775 0.77 EGFR (0.40) MMP9KDM1ATSHRADH1BADH1C
SCHEMBL3304927 0.77 HDAC3 (0.49) MMP13HDAC3HDAC1HDAC2HDAC8
SCHEMBL5545644 0.77 ACHE (0.48) MMP13MMP9ACHEADH1BADH1C
SCHEMBL5542584 0.76 SMN1; SMN2 (0.49) ACHETSHRADH1BADH1CADH1A
SCHEMBL5534736 0.76 PLA2G1B (0.49) KDM1AACHEADH1BADH1CADH1A
SCHEMBL5536817 0.76 NFE2L2 (0.47) KDM1AMAPT
SCHEMBL5544036 0.75 TACR1 (0.39) MMP9ACHEADH1BADH1CADH1A
SCHEMBL5540801 0.75 CCNE2 (0.38) KDM1AADH1BADH1CADH1AADH7

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 MMP13 4355/4885HDAC3 108/4885HDAC1 322/4885

“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.