SCHEMBL5545641

SCHEMBL5545641

[CH2]c1ccccc1NCc1cccc(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
APP P05067 1/20 0.45
MAOB P27338 1/20 0.44
CYP1A2 P05177 8/20 0.44
CYP2D6 P10635 7/20 0.44
CYP3A4 P08684 7/20 0.44
CYP2C19 P33261 7/20 0.44
TSHR P16473 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 3/20 0.43
CLK4 Q9HAZ1 2/20 0.42
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 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
SCHEMBL5544031 0.86 ADRA2C (0.41) CYP1A2CYP2D6CYP3A4CYP2C19TSHR
SCHEMBL5542578 0.81 HTT (0.52) APPALDH1A1HPGDMAPK1ALOX15
SCHEMBL5539354 0.80 CHRM2 (0.51) APPCYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL13941341 0.80 ALDH1A1 (0.55) BRD4BRD9APPMAOBCYP1A2
SCHEMBL5541898 0.80 IDO1 (0.40) CYP1A2CYP2D6CYP2C19TSHRHPGD
SCHEMBL5541606 0.80 PARP1 (0.50) APPMAOBCYP1A2CYP2D6CYP2C19
SCHEMBL5536813 0.80 APP (0.46) APPMAOBCLK4KDM4ETAAR1
SCHEMBL5538885 0.80 HSD17B10 (0.59) TSHRALDH1A1HPGDTDP1KDM4E
SCHEMBL5537824 0.80 ABCB1 (0.66) APPALDH1A1KDM4EMAPTABCB1
SCHEMBL20257645 0.79 ABCB1 (0.50) BRD4BRD9APPMAOBCYP1A2

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 BRD4 1012/4885BRD9 1585/4885APP 4262/4885

“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.