SCHEMBL5542890

SCHEMBL5542890

Cc1cc(C)c(CN2CCN(c3ccc([O])cc3)CC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
DRD2 P14416 4/20 0.42
DRD4 P21917 3/20 0.42
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
ALOX15 P16050 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
EPHX2 P34913 1/20 0.40
GAA P10253 1/20 0.40
RAD52 P43351 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5542895 0.85 DRD4 (0.55) KDM4EALDH1A1MAPTLMNATSHR
SCHEMBL5535565 0.78 ALDH1A1 (0.57) KDM4EALDH1A1MAPTLMNADRD2
SCHEMBL5536324 0.78 DRD4 (0.57) KDM4EALDH1A1MAPTDRD2DRD4
SCHEMBL5546069 0.74 KDM4E (0.49) KDM4EALDH1A1MAPTLMNATSHR
SCHEMBL11891933 0.73 HRH3 (0.52) KDM4EALDH1A1MAPTLMNAALOX15
SCHEMBL5536765 0.73 DRD4 (0.53) KDM4EALDH1A1MAPTLMNADRD2
SCHEMBL10701848 0.72 HRH3 (0.46) ALDH1A1MAPTLMNAPOLBEPHX2
SCHEMBL5542065 0.71 EPHX2 (0.44) ALDH1A1ALOX15EPHX2MEN1KMT2A
SCHEMBL5542706 0.71 DRD4 (0.77) DRD2DRD4HTR7HTR2AGAA
SCHEMBL10702796 0.71 EPHX2 (0.44) ALDH1A1MAPTLMNAPOLBEPHX2

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 KDM4E 4854/4885ALDH1A1 355/4885MAPT 4117/4885

“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.