SCHEMBL5537002

SCHEMBL5537002

CN([C]=O)Cc1ccccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.54
TSHR P16473 2/20 0.49
TAAR1 Q96RJ0 3/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.44
BLM P54132 1/20 0.44
BCHE P06276 1/20 0.38
IDO1 P14902 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.35
RIPK1 Q13546 1/20 0.35
NR3C1 P04150 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 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
SCHEMBL3559123 0.77 LMNA (0.63) PYCR1TSHRTAAR1CYP1A2CYP2D6
SCHEMBL29775429 0.77 LMNA (0.63) PYCR1TSHRTAAR1CYP1A2CYP2D6
SCHEMBL5542892 0.77 ALDH1A1 (0.50) TAAR1ALDH1A1KMT2ARIPK1
SCHEMBL5542025 0.77 PYCR1 (0.56) PYCR1TAAR1BCHEIDO1ALDH1A1
SCHEMBL14855429 0.74 CYP2D6 (0.65) TSHRCYP1A2CYP2D6CYP2C19LMNA
SCHEMBL5537003 0.73 TSHR (0.53) PYCR1TSHRTAAR1CYP1A2CYP2D6
SCHEMBL5540124 0.73 ALDH1A1 (0.44) PYCR1TSHRTAAR1CYP1A2CYP2D6
SCHEMBL6226217 0.72 PYCR1 (0.62) PYCR1TSHRTAAR1CYP1A2CYP2D6
SCHEMBL8483664 0.72 TSHR (0.67) PYCR1TSHRTAAR1CYP1A2CYP2D6
SCHEMBL6413545 0.72 PYCR1 (0.49) PYCR1TSHRTAAR1CYP1A2CYP2D6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN 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
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 PYCR1 783/4885TSHR 319/4885TAAR1 364/4885

“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.