SCHEMBL5543972

SCHEMBL5543972

C[C@](O)(COC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
LMNA P02545 5/20 0.49
MAPK1 P28482 2/20 0.49
RAB9A P51151 1/20 0.49
ENPP2 Q13822 3/20 0.46
HTT P42858 4/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
MGLL Q99685 1/20 0.43
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5543982 1.00 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1RAB9AENPP2
SCHEMBL5545923 0.91 ENPP2 (0.45) ALDH1A1LMNAMAPK1RAB9AENPP2
SCHEMBL5545919 0.91 ENPP2 (0.45) ALDH1A1LMNAMAPK1RAB9AENPP2
SCHEMBL5534947 0.90 ENPP2 (0.45) ALDH1A1LMNAMAPK1ENPP2HTT
SCHEMBL5534954 0.90 ENPP2 (0.45) ALDH1A1LMNAMAPK1ENPP2HTT
SCHEMBL5546111 0.87 MAPT (0.53) ALDH1A1LMNAMAPK1RAB9AENPP2
SCHEMBL5546105 0.87 MAPT (0.53) ALDH1A1LMNAMAPK1RAB9AENPP2
SCHEMBL5542481 0.85 MAPT (0.45) ALDH1A1LMNAMAPK1ENPP2HTT
SCHEMBL5542473 0.85 MAPT (0.45) ALDH1A1LMNAMAPK1ENPP2HTT
SCHEMBL5546002 0.85 LMNA (0.46) ALDH1A1LMNAMAPK1ENPP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 355/4885LMNA 4152/4885MAPK1 1392/4885

“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.