SCHEMBL5539429

SCHEMBL5539429

[CH2]c1ccccc1NCc1ccc(F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
ADRA2C P18825 1/20 0.40
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL5535937 0.86 KDM1A (0.42) HDAC8HDAC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5545048 0.79 SSTR3 (0.45) HDAC8HDAC1MAPTKDM4EHDAC6
SCHEMBL5534771 0.78 NTRK1 (0.38) HDAC8HDAC1MAPTSMN1; SMN2ADRA2C
SCHEMBL5534733 0.77 KCNH3 (0.45) MAPTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL5542578 0.77 HTT (0.52) MAPTSMN1; SMN2TP53ADRA2CALDH1A1
SCHEMBL5536813 0.76 APP (0.46) KDM4E
SCHEMBL5545641 0.76 BRD4 (0.46) MAPTTP53TSHRALDH1A1LMNA
SCHEMBL5544031 0.76 ADRA2C (0.41) MAPTSMN1; SMN2ADRA2CTSHRALDH1A1
SCHEMBL5540800 0.76 CCNE2 (0.40) HDAC8HDAC1MAPTSMN1; SMN2ADRA2C
SCHEMBL5539503 0.74 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD

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 HDAC8 993/4885HDAC1 322/4885HDAC3 108/4885

“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.