SCHEMBL5548271

SCHEMBL5548271

[O]c1ccc(CCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.60
MAOB P27338 2/20 0.54
HDAC1 Q13547 5/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SIGMAR1 Q99720 2/20 0.50
MAOA P21397 1/20 0.50
MAPT P10636 1/20 0.48

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
SCHEMBL5544634 0.95 MAOB (0.60) HTR2AMAOBHDAC1HDAC8HDAC3
SCHEMBL5534672 0.93 MAOB (0.58) HTR2AMAOBHDAC1HDAC8HDAC3
SCHEMBL5536079 0.93 MAOB (0.58) HTR2AMAOBHDAC1HDAC8HDAC3
SCHEMBL5543592 0.90 MAOB (0.56) HTR2AMAOBHDAC1HDAC8HDAC3
SCHEMBL9069707 0.87 HTR2A (0.75) HTR2AMAOBHDAC1HDAC8HDAC3
SCHEMBL15347959 0.84 HTR2A (0.71) HTR2AMAOBHDAC1HDAC8HDAC3
SCHEMBL54347 0.84 HTR2A (0.70) HTR2AMAOBHDAC1HDAC8HDAC3
SCHEMBL10831414 0.81 HTR2A (0.67) HTR2AMAOBHDAC1HDAC8HDAC3
SCHEMBL29268834 0.81 HTR2A (0.67) HTR2AMAOBHDAC1HDAC8HDAC3
Ammonia Solution, Strong SCHEMBL8817973 0.81 HTR2A (0.67) HTR2AMAOBHDAC1HDAC8HDAC3

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 HTR2A 4120/4885MAOB 2140/4885HDAC1 322/4885

“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.