SCHEMBL5535312

SCHEMBL5535312

[CH2]c1ccc2oc(=O)[nH]c2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
NOS1 P29475 4/20 0.46
NOS3 P29474 3/20 0.46
NOS2 P35228 3/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRA2A P08913 1/20 0.46
TSHR P16473 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMO O15229 1/20 0.40
GRM5 P41594 7/20 0.39
OGT O15294 1/20 0.38
EPHX2 P34913 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PTPN11 Q06124 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3306201 0.82 MCL1 (0.49) MCL1NOS1NOS3NOS2LMNA
SCHEMBL5535318 0.79 MCL1 (0.46) MCL1NOS1NOS3NOS2LMNA
SCHEMBL5544210 0.79 MCL1 (0.46) MCL1NOS1NOS3NOS2LMNA
SCHEMBL5536425 0.79 MCL1 (0.50) MCL1NOS1NOS3NOS2LMNA
SCHEMBL5542425 0.72 NOS1 (0.41) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL16176728 0.72 MCL1 (0.46) MCL1NOS1NOS3NOS2LMNA
SCHEMBL5077255 0.71 PSMB8 (0.61) MCL1NOS1NOS3NOS2LMNA
SCHEMBL30146353 0.71 PSMB8 (0.61) MCL1NOS1NOS3NOS2LMNA
SCHEMBL10884377 0.71 KMO (0.55) MCL1NOS1NOS3NOS2LMNA
SCHEMBL11761629 0.68 MCL1 (0.50) MCL1NOS1NOS3NOS2LMNA

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 MCL1 3401/4885NOS1 553/4885NOS3 214/4885

“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.