SCHEMBL5543103

SCHEMBL5543103

CN(C=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
TYR P14679 1/20 0.39
CYP1A2 P05177 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC1 Q13547 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC2A1 P11166 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2A13 Q16696 1/20 0.35
SRD5A2 P31213 1/20 0.35

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
SCHEMBL2095096 0.81 KIF11 (0.47) TSHRALDH1A1CYP1A2KIF11
SCHEMBL3813568 0.80 TSHR (0.42) TSHRALDH1A1HSD17B10TP53LMNA
SCHEMBL27755599 0.77 TSHR (0.39) TSHRALDH1A1HSD17B10TP53LMNA
SCHEMBL5428267 0.76 KIF11 (0.56) KIF11
SCHEMBL2091673 0.75 ALDH1A1 (0.52) TSHRALDH1A1HSD17B10LMNAMEN1
SCHEMBL1031222 0.75 CYP2A6 (0.39) TSHRALDH1A1HSD17B10TP53MEN1
SCHEMBL1134090 0.74 TSHR (0.50) TSHRALDH1A1HSD17B10LMNATYR
SCHEMBL15494 0.74 TSHR (0.61) TSHRALDH1A1HSD17B10TP53LMNA
SCHEMBL1031223 0.73 APP (0.48) ALDH1A1HSD17B10TP53LMNATYR
SCHEMBL2096460 0.73 ALDH1A1 (0.45) TSHRALDH1A1HSD17B10LMNACYP1A2

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 6 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-7173004-B2 Macrocyclic isoquinoline peptide inhibitors of hepatitis C virus BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 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 TSHR 319/4885ALDH1A1 355/4885HSD17B10 467/4885

“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.