SCHEMBL2095404

SCHEMBL2095404

[CH2]/C=C/c1ccccc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.62
TRPA1 O75762 1/20 0.62
TFEB P19484 1/20 0.58
CYP1A1 P04798 3/20 0.56
CYP1A2 P05177 3/20 0.56
CYP1B1 Q16678 3/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP19A1 P11511 1/20 0.55
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
BCHE P06276 1/20 0.51
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL2095406 1.00 NFE2L2 (0.62) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL1603719 0.86 NFE2L2 (0.79) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL7915752 0.86 NFE2L2 (0.79) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL4019329 0.86 NFE2L2 (0.79) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL1045608 0.82 NFE2L2 (0.64) NFE2L2CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL1045609 0.82 NFE2L2 (0.64) NFE2L2CYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL5510457 0.81 NFE2L2 (0.60) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL5510461 0.81 NFE2L2 (0.60) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL16933894 0.80 NFE2L2 (0.64) NFE2L2TRPA1TFEBCYP1A1CYP1A2
SCHEMBL1883472 0.80 NFE2L2 (0.64) NFE2L2TRPA1TFEBCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 US claimed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO claimed
CN-115141208-B Podophyllotoxin compound containing various ester structures and preparation method and application thereof 贵州大学 2024-03-08 CN disclosed
CN-115141208-A Podophyllotoxin compound containing various ester group structures and preparation method and application thereof 贵州大学 2022-10-04 CN 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
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20020032325-A1 4-amino-3-mercapto-1,2,4-triazoles HEINDEL NED D (US) 2002-03-14 US disclosed
EP-1181279-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-02-27 EP disclosed
EP-1109551-A1 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES Competitive Technologies, Inc. (US) 2001-06-27 EP disclosed
WO-2000069830-A1 DIKETODIAZACYCLIC COMPOUNDS, DIAZACYCLIC COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2000-11-23 WO disclosed
WO-2000010564-A1 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES COMPETITIVE TECHNOLOGIES, INC. (US) 2000-03-02 WO disclosed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US disclosed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 WO disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 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 (3 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 NFE2L2 418/4885TRPA1 2870/4885TFEB 3763/4885
US-20020032325-A1 4-amino-3-mercapto-1,2,4-triazoles TH, MAT1A, NAT1 NFE2L2 1196/4885TRPA1 1039/4885TFEB 4602/4885
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use NMT2, NMT1, MBOAT1 NFE2L2 2774/4885TRPA1 4207/4885TFEB 2275/4885

“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.