SCHEMBL5540401

SCHEMBL5540401

[CH2]CCCCc1ccc2cccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NR4A2 P43354 1/20 0.46
CYP3A4 P08684 3/20 0.44
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43
PDE10A Q9Y233 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DAO P14920 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 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
SCHEMBL5534573 0.98 ALDH1A1 (0.45) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL5543689 0.95 ALDH1A1 (0.47) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL5544956 0.88 ALDH1A1 (0.50) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL5535997 0.87 DAO (0.50) ALDH1A1CASP1HTTRAB9ATP53
SCHEMBL5543432 0.86 DAO (0.49) ALDH1A1CASP1HTTRAB9ATP53
SCHEMBL6114945 0.84 ALDH1A1 (0.50) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL6114624 0.83 TLR8 (0.49) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL6114634 0.83 TLR8 (0.49) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL6114869 0.83 TLR8 (0.49) ALDH1A1MEN1CASP1CASP7KMT2A
SCHEMBL6114521 0.83 TLR8 (0.49) ALDH1A1MEN1CASP1CASP7KMT2A

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 ALDH1A1 355/4885MEN1 3295/4885CASP1 2151/4885

“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.