SCHEMBL5543775

SCHEMBL5543775

C[C@](O)(CN1CCC(OCCc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
SOS1 Q07889 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ADRB2 P07550 1/20 0.33
TEAD1 P28347 2/20 0.32
SLC2A1 P11166 1/20 0.32
CYP3A4 P08684 1/20 0.32
PIK3CA P42336 3/20 0.32
PRKAA2 P54646 3/20 0.32
CHRM1 P11229 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31

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
SCHEMBL5543781 1.00 CARM1 (0.36) CARM1PRMT6SOS1DRD4DRD3
SCHEMBL5536393 0.92 CARM1 (0.45) CARM1PRMT6DRD4DRD3TMEM97
SCHEMBL5536402 0.92 CARM1 (0.45) CARM1PRMT6DRD4DRD3TMEM97
SCHEMBL5539502 0.92 KMT2A (0.39) CARM1PRMT6SOS1KMT2A
SCHEMBL5539494 0.92 KMT2A (0.39) CARM1PRMT6SOS1KMT2A
SCHEMBL5540878 0.87 ADRB2 (0.41) ADRB2TEAD1PRKAA2MMP2MMP13
SCHEMBL5543252 0.87 ADRB2 (0.41) ADRB2TEAD1PRKAA2MMP2MMP13
SCHEMBL5534495 0.86 L3MBTL1 (0.34) CARM1PRMT6SOS1TEAD1TGM2
SCHEMBL5543009 0.84 GRM2 (0.39) DRD4CYP3A4PIK3CAPRKAA2CHRM1
SCHEMBL5542997 0.84 GRM2 (0.39) DRD4CYP3A4PIK3CAPRKAA2CHRM1

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 CARM1 1867/4885PRMT6 1148/4885SOS1 768/4885

“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.