SCHEMBL5542843

SCHEMBL5542843

CCC1Oc2ccccc2C1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ABCB1 P08183 4/20 0.41
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GUSB P08236 4/20 0.35
CYP2C9 P11712 1/20 0.35
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33

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
Propionic Acid SCHEMBL7472691 0.90 KMT2A (0.39) MAOAMAOBABCB1LTB4RLTB4R2
SCHEMBL9348186 0.80 CYP2C9 (0.39) ABCB1LTB4RLTB4R2KMT2AMEN1
SCHEMBL12236947 0.78 ABCB1 (0.41) MAOAMAOBABCB1KMT2AMEN1
SCHEMBL13062858 0.78 ABCB1 (0.57) MAOAMAOBABCB1KMT2AMEN1
SCHEMBL22519097 0.78 ABCB1 (0.36) MAOAMAOBABCB1LTB4RLTB4R2
SCHEMBL30997925 0.78 ABCB1 (0.36) MAOAMAOBABCB1LTB4RLTB4R2
SCHEMBL9345601 0.77 CYP2C9 (0.38) ABCB1LTB4RLTB4R2KMT2AMEN1
SCHEMBL5542835 0.77 ABCB1 (0.41) MAOAMAOBABCB1KMT2AMEN1
SCHEMBL13551756 0.77 ABCB1 (0.41) MAOAMAOBABCB1KMT2AMEN1
SCHEMBL13511910 0.77 ABCB1 (0.38) MAOAMAOBABCB1KMT2AMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112261-B1 2-ETHYL-2,3-DIHYDROBENZOFURAN-CARBOXYLIC ACID ESTER DERIVATIVE, PREPARATION METHOD AND USE FOR PREPARING EFAROXAN DERIVATIVES PIERRE FABRE SANTE S A (FR) 2002-04-10 EP claimed
EP-1112261-A1 2-ETHYL-2,3-DIHYDROBENZOFURAN-CARBOXYLIC ACID ESTER DERIVATIVE, PREPARATION METHOD AND USE FOR PREPARING EFAROXAN DERIVATIVES PIERRE FABRE SANTE S.A. (FR) 2001-07-04 EP claimed
WO-2000015624-A1 2-ETHYL-2,3-DIHYDROBENZOFURAN-CARBOXYLIC ACID ESTER DERIVATIVE, PREPARATION METHOD AND USE FOR PREPARING EFAROXAN DERIVATIVES PIERRE FABRE SANTE, SOCIETE ANONYME (FR) 2000-03-23 WO claimed
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
EP-1112261-B1 2-ETHYL-2,3-DIHYDROBENZOFURAN-CARBOXYLIC ACID ESTER DERIVATIVE, PREPARATION METHOD AND USE FOR PREPARING EFAROXAN DERIVATIVES PIERRE FABRE SANTE S A (FR) 2002-04-10 EP disclosed
EP-1112261-A1 2-ETHYL-2,3-DIHYDROBENZOFURAN-CARBOXYLIC ACID ESTER DERIVATIVE, PREPARATION METHOD AND USE FOR PREPARING EFAROXAN DERIVATIVES PIERRE FABRE SANTE S.A. (FR) 2001-07-04 EP disclosed
WO-2000015624-A1 2-ETHYL-2,3-DIHYDROBENZOFURAN-CARBOXYLIC ACID ESTER DERIVATIVE, PREPARATION METHOD AND USE FOR PREPARING EFAROXAN DERIVATIVES PIERRE FABRE SANTE, SOCIETE ANONYME (FR) 2000-03-23 WO 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 MAOA 2885/4885MAOB 2140/4885ABCB1 2408/4885

“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.