SCHEMBL5544634

SCHEMBL5544634

[O]c1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
MAOA P21397 1/20 0.56
HTR2A P28223 1/20 0.54
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
HDAC1 Q13547 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52

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
SCHEMBL5536079 0.98 MAOB (0.58) MAOBMAOAHTR2AMAPTRXFP1
SCHEMBL5534672 0.98 MAOB (0.58) MAOBMAOAHTR2AMAPTRXFP1
SCHEMBL5548271 0.95 HTR2A (0.60) MAOBMAOAHTR2AMAPTRXFP1
SCHEMBL5543592 0.90 MAOB (0.56) MAOBMAOAHTR2AHDAC1HDAC3
SCHEMBL451456 0.84 MAOA (0.74) MAOBMAOAHTR2AMAPTRXFP1
SCHEMBL2095419 0.82 FFAR1 (0.66)
SCHEMBL8094527 0.81 SIGMAR1 (0.71) MAOBMAOAMAPTRXFP1SIGMAR1
SCHEMBL8085946 0.81 SIGMAR1 (0.71) MAOBMAOAMAPTRXFP1SIGMAR1
SCHEMBL9069707 0.81 HTR2A (0.75) MAOBMAOAHTR2AHDAC1SIGMAR1
SCHEMBL676854 0.81 SIGMAR1 (0.71) MAOBMAOAMAPTRXFP1SIGMAR1

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 MAOB 2140/4885MAOA 2885/4885HTR2A 4120/4885

“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.