SCHEMBL5537003

SCHEMBL5537003

CN(C=O)Cc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
PYCR1 P32322 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TAAR1 Q96RJ0 3/20 0.48
LMNA P02545 2/20 0.47
BLM P54132 1/20 0.47
BCHE P06276 1/20 0.38
IDO1 P14902 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 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
SCHEMBL4310308 0.78 MAPT (0.46) TSHRTAAR1BCHEALDH1A1MAPT
SCHEMBL3559123 0.77 LMNA (0.63) TSHRPYCR1CYP1A2CYP2D6NFKB1
SCHEMBL29775429 0.77 LMNA (0.63) TSHRPYCR1CYP1A2CYP2D6NFKB1
SCHEMBL5542898 0.77 ALDH1A1 (0.50) TAAR1LMNAALDH1A1HTTKMT2A
SCHEMBL5542029 0.77 PYCR1 (0.51) PYCR1TAAR1BCHEIDO1NPC1
SCHEMBL8483664 0.77 TSHR (0.67) TSHRPYCR1CYP1A2CYP2D6NFKB1
SCHEMBL6050456 0.74 CYP2D6 (0.65) TSHRCYP1A2CYP2D6CYP2C19LMNA
SCHEMBL4049148 0.74 TSHR (0.81) TSHRPYCR1CYP1A2CYP2D6NFKB1
SCHEMBL5537002 0.73 PYCR1 (0.54) TSHRPYCR1CYP1A2CYP2D6NFKB1
SCHEMBL5540129 0.73 TSHR (0.45) TSHRPYCR1CYP1A2CYP2D6NFKB1

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
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
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 319/4885PYCR1 783/4885CYP1A2 659/4885

“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.