SCHEMBL96800

SCHEMBL96800

[CH2]c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.58
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAOB P27338 9/20 0.50
MAOA P21397 3/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TOP1 P11387 1/20 0.49
LCK P06239 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL6987612 0.88 MAOB (0.58) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL28085577 0.88 MAOB (0.46) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL13412635 0.83 ALOX5 (0.63) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL9374707 0.82 LMNA (0.61) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL96618 0.81 ALOX5 (0.52) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL11565224 0.81 MEN1 (0.49) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2090973 0.81 ALOX5 (0.56) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL7443922 0.81 ALOX5 (0.56) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL21380701 0.79 MEN1 (0.50) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL95495 0.79 MAPT (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19

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 16 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
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO 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 (4 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 ALOX5 3374/4885LMNA 4152/4885CYP1A2 659/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB ALOX5 813/4885LMNA 3740/4885CYP1A2 3062/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ALOX5 422/4885LMNA 4860/4885CYP1A2 1412/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALOX5 422/4885LMNA 4860/4885CYP1A2 1412/4885

“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.