SCHEMBL5544322

SCHEMBL5544322

Cc1nnnn1-c1ccc(Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 3/20 0.43
HSP90AA1 P07900 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 0.40

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
SCHEMBL24240345 0.89 LMNA (0.62) LMNANOTUMALDH1A1TSHRKMT2A
SCHEMBL10053479 0.83 ALDH1A1 (0.59) LMNANOTUMALDH1A1TSHRKMT2A
SCHEMBL1186097 0.80 LMNA (0.58) LMNANOTUMALDH1A1KMT2AMAPT
SCHEMBL15790775 0.80 LMNA (0.54) LMNANOTUMALDH1A1KMT2AMAPT
SCHEMBL1186487 0.80 LMNA (0.54) LMNANOTUMALDH1A1TSHRKMT2A
SCHEMBL2736476 0.79 LMNA (0.57) LMNAALDH1A1TSHRKMT2APKM
SCHEMBL24185623 0.78 LMNA (0.45) LMNANOTUMALDH1A1KMT2AMAPT
SCHEMBL8351588 0.78 ALDH1A1 (0.47) LMNAALDH1A1TSHRKMT2APKM
SCHEMBL10022371 0.77 LMNA (0.51) LMNANOTUMALDH1A1KMT2APKM
SCHEMBL4209233 0.77 LMNA (0.59) LMNAALDH1A1TSHRKMT2AMAPT

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 LMNA 4152/4885NOTUM 3827/4885ALDH1A1 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.