SCHEMBL5537334

SCHEMBL5537334

[CH2]n1c(=O)oc2cccc(Br)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
IDO1 P14902 2/20 0.32
MIF P14174 1/20 0.31
LMNA P02545 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
GABRA4 P48169 1/20 0.30

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
SCHEMBL5543640 0.78 AR (0.36) ALDH1A1NPSR1TSHRMAPK1USP2
SCHEMBL5541186 0.78 ALDH1A1 (0.41) ALDH1A1NPSR1TSHRMAPK1USP2
SCHEMBL5282925 0.78 POLB (0.36) ALDH1A1NPSR1TSHRMAPK1USP2
SCHEMBL5537338 0.78 JAK2 (0.39) ALDH1A1NPSR1TSHRMAPK1USP2
SCHEMBL12049098 0.74 MAOB (0.33) TSHRMAPK1USP2HPGD
SCHEMBL5543868 0.70 ASAH1 (0.41) ALDH1A1NPSR1TSHRMAPK1USP2
SCHEMBL9715956 0.68 IDO1 (0.38) ALDH1A1NPSR1TSHRMAPK1USP2
SCHEMBL3543457 0.68 TSHR (0.57) ALDH1A1NPSR1TSHRMAPK1USP2
SCHEMBL5541833 0.63 NPC1 (0.53) ALDH1A1NPSR1TSHRMAPK1HPGD
SCHEMBL23442916 0.61 JAK2 (0.43) ALDH1A1LMNA

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 ALDH1A1 355/4885NPSR1 747/4885TSHR 319/4885

“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.