SCHEMBL5541179

SCHEMBL5541179

[CH2]CCC/C=C/Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.35
MAPT P10636 3/20 0.34
IDO1 P14902 1/20 0.33
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33
ADRB2 P07550 1/20 0.32
MEN1 O00255 3/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL5541182 1.00 KMT2A (0.40) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL5546312 0.88 KMT2A (0.42) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL5546314 0.88 KMT2A (0.42) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL5535560 0.81 ALDH1A1 (0.36) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5535559 0.81 ALDH1A1 (0.36) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28868752 0.81 SOAT2 (0.46) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL5548453 0.79 ALDH1A1 (0.44) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL5548450 0.79 ALDH1A1 (0.44) KMT2AALDH1A1NPC1RAB9ANFKB1
SCHEMBL7918293 0.79 SOAT2 (0.53) KMT2AALDH1A1KDM4ESOAT2SOAT1
SCHEMBL22694030 0.78 KMT2A (0.41) KMT2AALDH1A1NPC1RAB9ANFKB1

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 KMT2A 4267/4885ALDH1A1 355/4885NPC1 2404/4885

“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.