SCHEMBL5535307

SCHEMBL5535307

[CH2]c1cccc(C=Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.56
MAOB P27338 3/20 0.56
CYP19A1 P11511 3/20 0.56
MAOA P21397 2/20 0.56
RELA Q04206 1/20 0.50
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL5535304 1.00 NFE2L2 (0.56) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL9454729 1.00 NFE2L2 (0.56) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL1901796 0.82 NFE2L2 (0.68) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL1901794 0.82 NFE2L2 (0.68) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL611291 0.79 CNR2 (0.42) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL611292 0.79 CNR2 (0.42) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL421797 0.77 MAOB (0.56) NFE2L2MAOBCYP19A1MAOARELA
SCHEMBL421796 0.77 MAOB (0.56) NFE2L2MAOBCYP19A1MAOARELA
(Z)-1,2-Diphenylethene SCHEMBL28156521 0.76 MAOB (0.65) NFE2L2MAOBCYP19A1MAOARELA
(Z)-1,2-Diphenylethene SCHEMBL27412567 0.76 MAOB (0.65) NFE2L2MAOBCYP19A1MAOARELA

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101341129-B Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2011-12-14 CN claimed
CN-101341129-A Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-07 CN claimed
CN-101341124-A Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-07 CN claimed
CN-101006063-A Five-membered heterocycles useful as serine protease inhibitors. BRISTOL MYERS SQUIBB CO (US) 2007-07-25 CN claimed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2592130-B1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2015-01-21 EP disclosed
US-8748629-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
CN-101006063-B Five-membered heterocycles useful as serine protease inhibitors. BRISTOL MYERS SQUIBB CO 2013-07-17 CN disclosed
EP-2592130-A1 PHOTOCHROMIC MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2013-05-15 EP disclosed
US-20130102775-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-04-25 US disclosed
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
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
CN-101006063-A Five-membered heterocycles useful as serine protease inhibitors. BRISTOL MYERS SQUIBB CO (US) 2007-07-25 CN disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN 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 (2 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 NFE2L2 846/4885MAOB 2140/4885CYP19A1 3120/4885
US-20130102775-A1 PHOTOCHROMIC MATERIAL RB1, BRD4, H1-4 NFE2L2 827/4885MAOB 1334/4885CYP19A1 1011/4885

“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.