SCHEMBL5536993

SCHEMBL5536993

Cc1nc(-c2ccc(Cl)cc2)c(C)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TARBP2 Q15633 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL31194859 0.82 MAPK13 (0.57) ALDH1A1PTGS1PTGS2MAPK13MAPK12
SCHEMBL5536991 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL5544700 0.80 PTGS2 (0.54) ALDH1A1KDM4EPTGS1PTGS2ADORA2A
SCHEMBL18865626 0.80 KDM4E (0.40) ALDH1A1KDM4ELMNAGAAPTGS1
SCHEMBL15578111 0.80 ACHE (0.43) ALDH1A1KDM4EL3MBTL1GAAPTGS1
SCHEMBL5214925 0.79 MAPK13 (0.58) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL10832467 0.78 TARBP2 (0.41) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL5544010 0.78 PTGS1 (0.53) ALDH1A1PTGS1PTGS2ADORA2AADORA1
SCHEMBL28713512 0.77 APP (0.40) ALDH1A1KDM4EGAAPTGS1PTGS2
SCHEMBL10833899 0.77 MAPK13 (0.42) ALDH1A1KDM4ELMNAPTGS1PTGS2

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 7 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
US-4596816-A Pharmaceuticals TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-06-24 US disclosed
EP-0092239-A2 Oxazole derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1983-10-26 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 ALDH1A1 355/4885KDM4E 4854/4885L3MBTL1 1931/4885

“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.