SCHEMBL5543777

SCHEMBL5543777

[c]1ccc2[nH]c(-c3ccsc3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
GAA P10253 1/20 0.37
WNT3A P56704 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.34
TP53 P04637 3/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5542508 0.88 ALDH1A1 (0.37) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL16719495 0.80 ALDH1A1 (0.60) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL694906 0.78 NPC1 (0.62) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL9030999 0.78 NPC1 (0.62) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL695765 0.75 KDM4E (0.61) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL9033788 0.75 NPC1 (0.53) KDM4EALDH1A1NPC1RAB9AGAA
SCHEMBL16719904 0.75 METAP1 (0.64) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL3335588 0.73 NPC1 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2079577 0.73 RHEB (0.57) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL5542984 0.73 ALDH1A1 (0.65) KDM4EALDH1A1NPC1RAB9AGAA

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 6 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
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN 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 355/4885PKN1 4112/4885

“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.