SCHEMBL5540540

SCHEMBL5540540

[CH2]c1ccc(-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
TSHR P16473 5/20 0.58
ALOX15 P16050 3/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 4/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
APP P05067 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC2A1 P11166 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
HPGD P15428 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
SCHEMBL97098 0.92 ALDH1A1 (0.69) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL124209 0.86 ALDH1A1 (0.79) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL11547412 0.86 ALDH1A1 (0.79) ALDH1A1TSHRALOX15HSD17B10MAPT
Hydrochloric Acid SCHEMBL31707017 0.83 ALDH1A1 (0.73) ALDH1A1TSHRALOX15HSD17B10MAPT
Hydrochloric Acid SCHEMBL30448295 0.83 ALDH1A1 (0.73) ALDH1A1TSHRALOX15HSD17B10MAPT
Hydrochloric Acid SCHEMBL31597062 0.80 ALDH1A1 (0.69) ALDH1A1TSHRALOX15HSD17B10MAPT
Methyl Alcohol SCHEMBL6759181 0.80 ALDH1A1 (0.69) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL5543390 0.78 PNPLA2 (0.49) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL9322498 0.78 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPT
SCHEMBL15807413 0.78 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPT

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 355/4885TSHR 319/4885ALOX15 2847/4885

“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.