SCHEMBL5548152

SCHEMBL5548152

CN(C=O)Cc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 8/20 0.52
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
LSS P48449 2/20 0.42
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.37

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
SCHEMBL5534484 0.79 ALDH1A1 (0.50) PYCR1ALDH1A1KDM4ETSHRHTT
SCHEMBL24723657 0.79 MTOR (0.44) MAOBALDH1A1
SCHEMBL5537402 0.79 PYCR1 (0.47) PYCR1ALDH1A1TAAR1LMNA
SCHEMBL967209 0.78 TSHR (0.56) PYCR1MAOBALDH1A1KDM4ETAAR1
SCHEMBL28861696 0.78 ALDH1A1 (0.35) PYCR1ALDH1A1TAAR1TSHRMAPK1
SCHEMBL5542202 0.77 PYCR1 (0.53) PYCR1MAOBALDH1A1TAAR1
SCHEMBL2906670 0.76 ALDH1A1 (0.42) PYCR1ALDH1A1TSHRLSSLMNA
SCHEMBL13062564 0.76 APLNR (0.53) PYCR1ALDH1A1TSHRHTTMAPK1
SCHEMBL14306693 0.76 CYP2C19 (0.35) PYCR1ALDH1A1KDM4ETAAR1TSHR
SCHEMBL5513954 0.75 MMP13 (0.39) ALDH1A1KDM4ETSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469889-B1 (p-Carbonylaminophenyl)-sulphonyl-nitromethane derivatives ZENECA LTD (GB) 1996-01-17 EP claimed
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 PYCR1 783/4885MAOB 2140/4885ALDH1A1 355/4885

“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.