SCHEMBL5545110

SCHEMBL5545110

CN(Cc1ccc(C(F)(F)F)cc1)C[C@](C)(O)Cn1cc([N+](=O)[O-])nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.38
NR1D1 P20393 1/20 0.36
TGM2 P21980 1/20 0.36
PYCR1 P32322 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP19A1 P11511 2/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
MMP1 P03956 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LSS P48449 1/20 0.32
OPRK1 P41145 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32

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
SCHEMBL5545114 1.00 SOS1 (0.38) SOS1NR1D1TGM2PYCR1ALDH1A1
SCHEMBL5535327 0.90 KMT2A (0.43) SOS1NR1D1PYCR1ALDH1A1KMT2A
SCHEMBL5536273 0.88 SOS1 (0.37) SOS1PYCR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5536277 0.88 SOS1 (0.37) SOS1PYCR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5539824 0.88 PKM (0.36) SOS1ALDH1A1KMT2ALMNA
SCHEMBL5539822 0.88 PKM (0.36) SOS1ALDH1A1KMT2ALMNA
SCHEMBL5534677 0.88 KCNH2 (0.40) SOS1LMNALSS
SCHEMBL5534674 0.88 KCNH2 (0.40) SOS1LMNALSS
SCHEMBL5540036 0.86 SOS1 (0.36) SOS1NR1D1PYCR1ALDH1A1KMT2A
SCHEMBL5540027 0.86 SOS1 (0.36) SOS1NR1D1PYCR1ALDH1A1KMT2A

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 SOS1 768/4885NR1D1 25/4885TGM2 3103/4885

“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.