SCHEMBL5540129

SCHEMBL5540129

O=CN(Cc1ccccc1)Cc1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
NR3C1 P04150 1/20 0.40
PYCR1 P32322 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
BCHE P06276 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL26802 0.83 ALDH1A1 (0.48) TSHRLMNATDP1MEN1KMT2A
SCHEMBL5540778 0.80 L3MBTL1 (0.45) TSHRCYP1A2LMNAPYCR1L3MBTL1
SCHEMBL5542131 0.79 TAS2R14 (0.45) LMNANR3C1PYCR1ALDH1A1IDO1
SCHEMBL5542841 0.79 ALDH1A1 (0.54) LMNANR3C1TDP1MEN1KMT2A
SCHEMBL14855453 0.77 CYP1A2 (0.50) TSHRCYP1A2CYP2D6CYP2C19LMNA
SCHEMBL5539533 0.76 PTGES (0.50) NR3C1PYCR1MEN1KMT2ATAAR1
SCHEMBL5548405 0.73 G6PC1 (0.49) NR3C1L3MBTL1TDP1MEN1POLB
SCHEMBL5542200 0.73 KCNA5 (0.50) L3MBTL1TDP1MEN1KMT2AALDH1A1
Malonic Acid SCHEMBL16431221 0.73 NPC1 (0.47) TSHRLMNAL3MBTL1TDP1MEN1
SCHEMBL17333537 0.73 TDP1 (0.40) TSHRTDP1ALDH1A1

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 TSHR 319/4885CYP1A2 659/4885CYP2D6 728/4885

“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.